SCHEMBL1738014

SCHEMBL1738014

O=C1Cc2ccccc2[C]N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.45
PDK2 Q15119 1/20 0.45
TDP2 O95551 3/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAP3K14 Q99558 1/20 0.42
CYP1A2 P05177 1/20 0.39
MAOA P21397 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CES1 P23141 2/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL9630868 0.79 CYP1A2 (0.35) CYP1A2CYP2A6
SCHEMBL3707901 0.71 AHR (0.41) AHRPDK2TDP2CASP3CASP7
SCHEMBL2313287 0.67 AHR (0.70) AHRPDK2TDP2CASP3CASP7
SCHEMBL599812 0.67 CYP1A2 (0.44) AHRPDK2TDP2CASP3CASP7
SCHEMBL1750072 0.64 MAOA (0.42) CYP1A2MAOANPC1CYP2A6SMN1; SMN2
SCHEMBL1750074 0.64 MAOA (0.42) CYP1A2MAOANPC1CYP2A6SMN1; SMN2
SCHEMBL2746647 0.64
SCHEMBL21726 0.64
SCHEMBL676633 0.64 CYP1A2 (0.41) AHRPDK2TDP2CASP3CASP7
SCHEMBL993085 0.62 AHR (0.50) AHRPDK2TDP2CASP3CASP7

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 221 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US claimed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US claimed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US claimed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US claimed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors BHALAY GURDIP (GB) 2003-09-11 US claimed
US-20030139429-A1 Combinations NOVARTIS AG (CH) 2003-07-24 US claimed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 US claimed
WO-2003028730-A2 PHARMACEUTICAL COMBINATIONS OF PDE-V INHIBITORS AND OTHER AGENTS NOVARTIS AG (CH) 2003-04-10 WO claimed
EP-1268480-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS Novartis AG (CH) 2003-01-02 EP claimed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 WO claimed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP claimed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR AHR 4552/4885PDK2 1555/4885TDP2 1109/4885
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 AHR 174/4885PDK2 369/4885TDP2 2008/4885
US-20030139429-A1 Combinations GPR119, HMGCR, SLC5A1 AHR 4522/4885PDK2 1554/4885TDP2 1289/4885
US-20030171384-A1 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors PDE5A, PDE3A, PDE2A AHR 1078/4885PDK2 1620/4885TDP2 966/4885

“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.