SCHEMBL4995767

SCHEMBL4995767

CC1=C(C#N)C(c2ccc3[nH]nc(C(=O)NCCC4CCCN4C)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
RPS6KA3 P51812 1/20 0.42
GSK3B P49841 7/20 0.41
GABRA1 P14867 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
DYRK1A Q13627 10/20 0.40
WNT1 P04628 6/20 0.40
ACKR3 P25106 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL2015117 0.87 DYRK1A (0.54) METRPS6KA3GSK3BGABRA1TMEM97
SCHEMBL2011282 0.81 WNT1 (0.52) METRPS6KA3GSK3BGABRA1TMEM97
SCHEMBL4989580 0.81 EGLN1 (0.45) GABRA1TMEM97EGLN1ACKR3
SCHEMBL2012517 0.79 MET (0.55) METRPS6KA3GABRA1TMEM97
SCHEMBL2008387 0.76 MET (0.58) METRPS6KA3GABRA1TMEM97
SCHEMBL2010519 0.76 MET (0.58) METRPS6KA3GABRA1TMEM97
SCHEMBL4436577 0.75 MET (0.55) METRPS6KA3GABRA1TMEM97
SCHEMBL9906870 0.74 WNT1 (0.46) METRPS6KA3GSK3BGABRA1TMEM97
SCHEMBL2008675 0.73 MET (0.55) METRPS6KA3GABRA1TMEM97
SCHEMBL4994253 0.71 MET (0.48) METRPS6KA3GABRA1TMEM97

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 5 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 claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
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 1/4885RPS6KA3 146/4885GSK3B 1493/4885

“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.