SCHEMBL2009988

SCHEMBL2009988

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2ccc(NCCN(C)C)nc2)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.53
▸ DRD5 P21918 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDO2 P48775 1/20 0.38
▸ PIM1 P11309 5/20 0.36
▸ PIM3 Q86V86 4/20 0.36
▸ PIM2 Q9P1W9 4/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PGK1 P00558 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ GSK3A P49840 1/20 0.35

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
SCHEMBL9906871 0.91 MET (0.43) METDRD5HTR2CHTR6TDO2
SCHEMBL4999855 0.84 MET (0.48) METDRD5HTR2CHTR6EGFR
SCHEMBL4996832 0.82 MET (0.53) METDRD5HTR2CHTR6POLB
SCHEMBL9909087 0.81 MET (0.61) METDRD5HTR2CHTR6POLB
SCHEMBL2009516 0.78 MET (0.67) METDRD5HTR2CHTR6POLB
SCHEMBL4987926 0.78 MET (0.61) METDRD5HTR2CHTR6POLB
SCHEMBL4996162 0.77 MET (0.66) METDRD5HTR2CHTR6POLB
SCHEMBL4996912 0.77 MET (0.62) METDRD5HTR2CHTR6POLB
SCHEMBL1583361 0.76 MET (0.80) METDRD5HTR2CHTR6POLB
SCHEMBL4994980 0.76 MET (0.52) METDRD5HTR2CHTR6POLB

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 10 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
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
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US 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 1/4885DRD5 2112/4885HTR2C 2151/4885

“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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