SCHEMBL2009638

SCHEMBL2009638

CC(=O)Nc1cccc(C2=C(C#N)C(c3ccc4[nH]ncc4c3)C(C#N)=C(C)N2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.55
▸ ROCK1 Q13464 10/20 0.48
▸ ROCK2 O75116 4/20 0.48
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ RPS6KB1 P23443 4/20 0.43
▸ CHEK1 O14757 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NEK2 P51955 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ PIM1 P11309 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
SCHEMBL2011898 0.84 MET (0.62) METROCK1ROCK2MAOAMAOB
SCHEMBL2009516 0.83 MET (0.67) METROCK1RPS6KB1MAPK1DYRK3
SCHEMBL4994442 0.81 MET (0.56) METROCK1ROCK2MAOBMAPK1
SCHEMBL4437416 0.80 MET (0.60) METROCK1MAOAMAOBRPS6KB1
SCHEMBL4996912 0.80 MET (0.62) METMAPK1PIM1RPS6KA3PIM3
SCHEMBL4437291 0.80 MET (0.57) METROCK1ROCK2MAOAMAOB
SCHEMBL4992558 0.79 FYN (0.41) METMAOAMAOBCHEK1DRD5
SCHEMBL4996162 0.79 MET (0.66) METROCK1ROCK2MAPK1PIM1
SCHEMBL1583361 0.78 MET (0.80) METROCK1ROCK2MAPK1NEK2
SCHEMBL4987926 0.77 MET (0.61) METROCK1ROCK2CHEK1MAPK1

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 13 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
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 — — CN 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
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 — — CN 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 MET 1/4885ROCK1 1085/4885ROCK2 1282/4885

“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.

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