SCHEMBL4996818

SCHEMBL4996818

CC1=C(C#N)C(c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.55
▸ RPS6KA3 P51812 1/20 0.55
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ DRD5 P21918 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAP3K8 P41279 1/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND3 P30281 1/20 0.39

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
SCHEMBL4995162 0.82 MET (0.59) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL2013754 0.81 PDPK1 (0.54) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4997309 0.80 MET (0.55) METRPS6KA3POLBMAPK1SMN1; SMN2
Bay-474 SCHEMBL4994862 0.80 MET (0.66) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL1414765 0.80 MET (0.66) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4994416 0.79 MET (0.56) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL5000259 0.78 MAP2K4 (0.56) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4996153 0.78 MET (0.63) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4988283 0.78 MET (0.63) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL2009485 0.78 MET (0.63) 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 5 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
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US 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-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 1/4885RPS6KA3 146/4885POLB 3783/4885

“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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