SCHEMBL4994904

SCHEMBL4994904

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2cnccc2Cl)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.63
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPA1 O75762 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL4996162 0.85 MET (0.66) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL4996912 0.82 MET (0.62) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL1583361 0.82 MET (0.80) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL5000225 0.81 MET (0.60) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL2009516 0.80 MET (0.67) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL9909087 0.80 MET (0.61) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL1583928 0.77 MET (1.00) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL2014856 0.77 MET (0.62) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL2011898 0.77 MET (0.62) METPOLBMAPK1SMN1; SMN2DRD5
SCHEMBL4987926 0.76 MET (0.61) METPOLBMAPK1SMN1; SMN2DRD5

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 1/4885POLB 3783/4885MAPK1 168/4885

“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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