SCHEMBL5000246

SCHEMBL5000246

CC1=C(C#N)C(c2ccc(O)c(Cl)c2)C(C#N)=C(c2ccccc2)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.53
DRD5 P21918 1/20 0.53
HTR2C P28335 1/20 0.53
HTR6 P50406 1/20 0.53
KDM4E B2RXH2 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 8/20 0.42
MAPT P10636 8/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
RPS6KA3 P51812 1/20 0.41
GAA P10253 4/20 0.39
ESR2 Q92731 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL4992251 0.98 MET (0.53) METDRD5HTR2CHTR6KDM4E
SCHEMBL4996768 0.91 MET (0.64) METDRD5HTR2CHTR6KDM4E
SCHEMBL4992255 0.90 MET (0.48) METDRD5HTR2CHTR6KDM4E
SCHEMBL4996020 0.88 MET (0.51) METDRD5HTR2CHTR6KDM4E
SCHEMBL4997481 0.87 MET (0.48) METDRD5HTR2CHTR6KDM4E
SCHEMBL5015309 0.87 MET (0.52) METDRD5HTR2CHTR6KDM4E
SCHEMBL13685506 0.86 KDM4E (0.52) METDRD5HTR2CHTR6KDM4E
SCHEMBL4999668 0.84 MET (0.47) METDRD5HTR2CHTR6KDM4E
SCHEMBL4989334 0.83 MET (0.43) METDRD5HTR2CHTR6KDM4E
SCHEMBL4987966 0.83 ALDH1A1 (0.50) METDRD5HTR2CHTR6KDM4E

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 1/4885DRD5 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.