SCHEMBL354121

SCHEMBL354121

Cc1[c]c(-c2ccccc2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
BRD2 P25440 1/20 0.42
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
TDO2 P48775 1/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.35
HSP90AB1 P08238 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2092874 0.77 NR1H4 (0.42) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL314833 0.67 BRD4 (0.47) BRD4BRD2PTGS1PTGS2TDO2
SCHEMBL1398770 0.62 NPC1 (0.38) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL637899 0.62 ALDH1A1 (0.36) BRD4BRD2PTGS1PTGS2TDO2
SCHEMBL854952 0.61 TDO2 (0.36) BRD4BRD2PTGS1PTGS2TDO2
Biphenyl SCHEMBL15648861 0.59 ALDH1A1 (0.53) BRD4BRD2NPC1RAB9ANFKB1
SCHEMBL21105338 0.58 BRD4 (0.68) BRD4BRD2PTGS1PTGS2TDO2
SCHEMBL21105084 0.58 PTGS1 (0.55) BRD4BRD2PTGS1PTGS2MEN1
Biphenyl SCHEMBL10535512 0.58 ALDH1A1 (0.60) BRD4BRD2NPC1RAB9ANFKB1
Toluene SCHEMBL27476235 0.58 ACHE (0.73) BRD4BRD2NPC1RAB9ANFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US claimed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO claimed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US claimed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP claimed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US claimed
EP-1756118-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Altana Pharma AG (DE) 2007-02-28 EP claimed
WO-2005118592-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER ALTANA PHARMA AG (DE) 2005-12-15 WO claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US disclosed
US-9125414-B2 Pyridine derivatives compounds for controlling invertebrate pests BASF SE (DE) 2015-09-08 US disclosed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO disclosed
US-8710056-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2014-04-29 US disclosed
EP-2451808-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-03-26 EP disclosed
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-20120122681-A1 Pyridine Derivatives Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-17 US disclosed
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-03 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20110123477-A1 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2011-05-26 US disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
EP-2274384-A2 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE Clemson University (US) 2011-01-19 EP disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
WO-2009134303-A9 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE CLEMSON UNIVERSITY (US) 2010-02-18 WO disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed
WO-2009134303-A2 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE CLEMSON UNIVERSITY (US) 2009-11-05 WO disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
EP-1756118-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Altana Pharma AG (DE) 2007-02-28 EP disclosed
WO-2005118592-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER ALTANA PHARMA AG (DE) 2005-12-15 WO disclosed
US-3984427-A Preparation of vinyl lactones and corresponding Mannich bases HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed
US-3984427-A Preparation of vinyl lactones and corresponding Mannich bases HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 BRD4 2111/4885BRD2 3041/4885PTGS1 1182/4885
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 BRD4 83/4885BRD2 223/4885PTGS1 225/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA BRD4 533/4885BRD2 1258/4885PTGS1 2348/4885
US-20120122681-A1 Pyridine Derivatives Compounds for Controlling Invertebrate Pests PRXL2A, GRIN2A, CNR2 BRD4 1982/4885BRD2 541/4885PTGS1 1618/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K BRD4 3750/4885BRD2 4131/4885PTGS1 1316/4885
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 BRD4 152/4885BRD2 884/4885PTGS1 643/4885
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests CNR2, GRIN2C, GRIN2A BRD4 999/4885BRD2 350/4885PTGS1 1623/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 BRD4 196/4885BRD2 956/4885PTGS1 689/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB BRD4 2593/4885BRD2 2392/4885PTGS1 1965/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.