SCHEMBL9906876

SCHEMBL9906876

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.53
RPS6KA3 P51812 1/20 0.53
DRD5 P21918 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9906867 0.91 MET (0.53) METRPS6KA3DRD5HTR2CHTR6
Bay-474 SCHEMBL4994862 0.88 MET (0.66) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12386168 0.87 MET (0.63) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL9906861 0.86 MET (0.49) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL9906864 0.86 MET (0.49) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL9906857 0.86 MET (0.48) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12386153 0.86 MET (0.50) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12386154 0.86 MET (0.52) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL9906884 0.86 MET (0.48) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12386171 0.85 MET (0.51) METRPS6KA3DRD5HTR2CHTR6

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 146/4885DRD5 2112/4885

“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.