SCHEMBL9906873

SCHEMBL9906873

[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2[nH]ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 16/20 0.65
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1583361 0.88 MET (0.80) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL9906858 0.83 MET (0.48) METPOLBMAPK1SMN1; SMN2TRPA1
SCHEMBL9906867 0.80 MET (0.53) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL9906876 0.80 MET (0.53) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL1583928 0.79 MET (1.00) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4989460 0.78 MET (0.65) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL9906871 0.77 MET (0.43) METROCK2ROCK1
SCHEMBL2011081 0.77 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2009516 0.77 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL10212445 0.77 MET (0.43) METKDM4EROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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