SCHEMBL2013754

SCHEMBL2013754

CC1=C(C#N)C(c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 9/20 0.54
▸ MET P08581 4/20 0.54
▸ RPS6KA3 P51812 2/20 0.54
▸ FGFR1 P11362 2/20 0.52
▸ FLT1 P17948 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CHEK1 O14757 3/20 0.46
▸ ITK Q08881 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ CHEK2 O96017 1/20 0.46

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
SCHEMBL4996818 0.81 MET (0.55) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4997309 0.79 MET (0.55) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4995162 0.79 MET (0.59) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL5000259 0.77 MAP2K4 (0.56) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL1225637 0.77 PDPK1 (0.67) PDPK1RPS6KA3FGFR1FLT1CHEK1
SCHEMBL1414765 0.77 MET (0.66) PDPK1METRPS6KA3POLBMAPK1
Bay-474 SCHEMBL4994862 0.77 MET (0.66) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4996214 0.76 MET (0.54) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4994416 0.76 MET (0.56) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4994686 0.75 MET (0.52) METRPS6KA3POLBMAPK1SMN1; SMN2

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 PDPK1 194/4885MET 1/4885RPS6KA3 146/4885

“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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