SCHEMBL2010656

SCHEMBL2010656

CC1=C(C#N)C(c2ccc3[nH]nc(N)c3c2)C(C#N)=C(C)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.47
PRKACA P17612 8/20 0.47
GSK3B P49841 8/20 0.47
ROCK2 O75116 8/20 0.47
CDK2 P24941 8/20 0.47
MAP4K4 O95819 7/20 0.47
RPS6KA3 P51812 6/20 0.47
DAPK3 O43293 6/20 0.47
GSK3A P49840 6/20 0.47
JAK3 P52333 6/20 0.47
CDK5 Q00535 6/20 0.47
ROCK1 Q13464 6/20 0.47
DYRK1A Q13627 6/20 0.47
AURKB Q96GD4 6/20 0.47
CLK4 Q9HAZ1 6/20 0.47
JAK2 O60674 6/20 0.47
MAPK13 O15264 5/20 0.47
PRKCG P05129 5/20 0.47
CDK1 P06493 5/20 0.47
MARK3 P27448 5/20 0.47

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
SCHEMBL2011596 0.85 MET (0.44) PRKACAROCK2CDK2MAP4K4RPS6KA3
SCHEMBL2013526 0.83 MET (0.44) ROCK2CDK2MAP4K4RPS6KA3DAPK3
SCHEMBL2009613 0.82 MET (0.55) RPS6KA3JAK2MAPK1PDPK1MET
SCHEMBL13685513 0.81 MET (0.54) CDC7PRKACAGSK3BROCK2CDK2
SCHEMBL13685509 0.78 MET (0.44) ROCK2RPS6KA3JAK3JAK2PDPK1
SCHEMBL1414765 0.77 MET (0.66) RPS6KA3JAK2MAPK1PDPK1MET
SCHEMBL9906859 0.76 MET (0.41) ROCK2CDK2MAP4K4RPS6KA3DAPK3
SCHEMBL2014848 0.75 MET (0.44) RPS6KA3MAPK1METKDM4EALDH1A1
SCHEMBL4437474 0.75 MET (0.58) GSK3BRPS6KA3GSK3ACDK5DYRK1A
SCHEMBL13685512 0.74 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDCASP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP claimed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO claimed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO disclosed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (1 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET CDC7 230/4885PRKACA 14/4885GSK3B 1493/4885

“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.