SCHEMBL2009641

SCHEMBL2009641

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2ccc(N3CCOCC3)c(F)c2)N1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.54
DRD5 P21918 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
GRIA1 P42261 5/20 0.41
PIK3CA P42336 1/20 0.38
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
TBK1 Q9UHD2 3/20 0.38
RPS6KA3 P51812 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
SCHEMBL4999741 0.85 MET (0.53) METDRD5HTR2CHTR6GRIA1
SCHEMBL4991830 0.85 MET (0.52) METDRD5HTR2CHTR6GRIA1
SCHEMBL4999855 0.78 MET (0.48) METDRD5HTR2CHTR6GRIA1
SCHEMBL4988422 0.77 MET (0.47) METDRD5HTR2CHTR6GRIA1
SCHEMBL2009516 0.77 MET (0.67) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL4996162 0.76 MET (0.66) METDRD5HTR2CHTR6PIK3CA
SCHEMBL2015214 0.76 CD274 (0.48) MET
SCHEMBL2011898 0.75 MET (0.62) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1583361 0.75 MET (0.80) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL9909087 0.75 MET (0.61) METDRD5HTR2CHTR6RPS6KA3

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 11 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
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO claimed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO disclosed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 1/4885DRD5 2112/4885HTR2C 2151/4885

“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.