SCHEMBL4823229

SCHEMBL4823229

CCc1ccc2cccnc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE10A Q9Y233 2/20 0.44
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
CCR1 P32246 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL12895009 0.84 PDE10A (0.49) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7514147 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3275331 0.82 KDM4E (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19952703 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL2009161 0.82 CCR1 (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL24417903 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL22104646 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7920593 0.81 CYP2A6 (0.45) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL30331100 0.80 CCR1 (0.61) ALDH1A1KDM4ELMNAPDE10AGMNN
SCHEMBL12981757 0.80 CCR1 (0.61) ALDH1A1KDM4ELMNAPDE10AGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159510-A1 NOVEL PRMT5 INHIBITORS AMGEN INC. (US) 2023-05-25 US disclosed
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
CN-108699065-A Tricyclic compounds and composition as kinase inhibitor 诺华股份有限公司 2018-10-23 CN disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
WO-2014154725-A1 NAPHTHYRIDINE DERIVATIVES USEFUL AS ALPHA-V-BETA-6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-10-02 WO disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-7691865-B2 Pyrazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. (US) 2010-04-06 US disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
WO-2010006681-A1 COMPLEXES FOR USE IN OPTOELECTRONIC COMPONENTS MERCK PATENT GMBH (DE) 2010-01-21 WO disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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 (10 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885KDM4E 3386/4885LMNA 3446/4885
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 ALDH1A1 3315/4885KDM4E 1575/4885LMNA 3894/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 ALDH1A1 507/4885KDM4E 977/4885LMNA 1918/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 ALDH1A1 2925/4885KDM4E 2360/4885LMNA 4185/4885
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 ALDH1A1 347/4885KDM4E 3207/4885LMNA 1312/4885
US-20230159510-A1 NOVEL PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 ALDH1A1 3191/4885KDM4E 45/4885LMNA 2439/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 ALDH1A1 3270/4885KDM4E 1631/4885LMNA 3852/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 ALDH1A1 4469/4885KDM4E 2769/4885LMNA 710/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 2824/4885KDM4E 1647/4885LMNA 753/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B ALDH1A1 362/4885KDM4E 3254/4885LMNA 1243/4885

“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.