SCHEMBL5000225

SCHEMBL5000225

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2ccnc(Cl)c2)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.60
DRD5 P21918 1/20 0.48
HTR2C P28335 1/20 0.48
HTR6 P50406 1/20 0.48
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RPS6KA3 P51812 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
ROCK1 Q13464 2/20 0.39
CYP2C9 P11712 1/20 0.36
RPS6KB1 P23443 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL9909087 0.87 MET (0.61) METDRD5HTR2CHTR6POLB
SCHEMBL4996162 0.87 MET (0.66) METDRD5HTR2CHTR6POLB
SCHEMBL2009516 0.84 MET (0.67) METDRD5HTR2CHTR6POLB
SCHEMBL4994980 0.83 MET (0.52) METDRD5HTR2CHTR6POLB
SCHEMBL2011898 0.82 MET (0.62) METDRD5HTR2CHTR6POLB
SCHEMBL4996912 0.82 MET (0.62) METDRD5HTR2CHTR6POLB
SCHEMBL1583361 0.82 MET (0.80) METDRD5HTR2CHTR6POLB
SCHEMBL4991830 0.82 MET (0.52) METDRD5HTR2CHTR6POLB
SCHEMBL4994904 0.81 MET (0.63) METDRD5HTR2CHTR6POLB
SCHEMBL4987926 0.80 MET (0.61) METDRD5HTR2CHTR6POLB

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 1/4885DRD5 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.