SCHEMBL4997410

SCHEMBL4997410

CC(=O)NCCC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(C)N1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.58
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK1 Q13464 10/20 0.39
ROCK2 O75116 4/20 0.39
RPS6KA3 P51812 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
GRK2 P25098 4/20 0.37
GRK5 P34947 4/20 0.37
RPS6KB1 P23443 3/20 0.36
RPS6KA1 Q15418 3/20 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
SCHEMBL2011081 0.84 MET (0.67) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL1982875 0.82 MET (0.63) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL1583361 0.81 MET (0.80) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL27780429 0.79 MET (0.57) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL2011745 0.76 MET (0.61) METMAPK1POLBSMN1; SMN2RPS6KA3
SCHEMBL2013113 0.75 MET (0.63) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL2009638 0.75 MET (0.55) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL1583928 0.74 MET (1.00) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL4437416 0.74 MET (0.60) METMAPK1POLBSMN1; SMN2ROCK1
SCHEMBL4437291 0.73 MET (0.57) METMAPK1POLBSMN1; SMN2ROCK1

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 3 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 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 1/4885MAPK1 168/4885POLB 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.