SCHEMBL9906853

SCHEMBL9906853

[C-]#[N+]C1=C(C)NC(C)=C(C#N)C1c1ccc2[nH]nc(C(=O)OC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.49
▸ RPS6KA3 P51812 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GABRA1 P14867 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DRD5 P21918 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR6 P50406 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
SCHEMBL4436577 0.90 MET (0.55) METRPS6KA3KDM4ESTAT3HIF1A
SCHEMBL9906857 0.90 MET (0.48) METRPS6KA3GABRA1TMEM97DRD5
SCHEMBL9906875 0.88 MET (0.46) METRPS6KA3KDM4EGABRA1TMEM97
SCHEMBL9906867 0.85 MET (0.53) METRPS6KA3KDM4EMAPTCASP1
SCHEMBL12386168 0.84 MET (0.63) METRPS6KA3KDM4EMAPTDRD5
SCHEMBL9906876 0.83 MET (0.53) METRPS6KA3KDM4EMAPTCASP1
SCHEMBL9906870 0.83 WNT1 (0.46) METRPS6KA3KDM4EGABRA1TMEM97
SCHEMBL9906861 0.83 MET (0.49) METRPS6KA3KDM4EMAPTCASP1
SCHEMBL9906864 0.81 MET (0.49) METRPS6KA3KDM4EGABRA1TMEM97
SCHEMBL2012517 0.80 MET (0.55) METRPS6KA3KDM4EGABRA1TMEM97

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 1/4885RPS6KA3 146/4885KDM4E 1582/4885

“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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