SCHEMBL4997426

SCHEMBL4997426

CC1=C(C#N)C(c2ccc3c(c2)c(NCc2ccc(N(C)CCO)cc2)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MET P08581 4/20 0.35
RPS6KA3 P51812 1/20 0.35
NR3C2 P08235 1/20 0.34
EEF2K O00418 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3B P49841 1/20 0.32
PRKX P51817 1/20 0.32
NEK4 P51957 1/20 0.32
PRKG2 Q13237 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL4995588 0.87 GABRA1 (0.50) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4997429 0.86 GABRA1 (0.42) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4432848 0.85 GABRA1 (0.48) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4441866 0.84 GABRA1 (0.50) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4991961 0.83 GABRA1 (0.42) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4437680 0.79 GABRA1 (0.45) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL9906881 0.78 GABRA1 (0.42) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4992185 0.78 GABRA1 (0.45) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4987924 0.78 MET (0.45) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4985352 0.77 GABRA1 (0.48) GABRA1TMEM97KDM4EALDH1A1MAPT

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 GABRA1 2962/4885TMEM97 736/4885KDM4E 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.