SCHEMBL4996162

SCHEMBL4996162

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2ccncc2)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.66
DRD5 P21918 1/20 0.49
HTR2C P28335 1/20 0.49
HTR6 P50406 1/20 0.49
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CLK1 P49759 1/20 0.45
RPS6KA3 P51812 1/20 0.43
ROCK1 Q13464 1/20 0.40
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL2009516 0.90 MET (0.67) METDRD5HTR2CHTR6POLB
SCHEMBL4996912 0.89 MET (0.62) METDRD5HTR2CHTR6POLB
SCHEMBL5000225 0.87 MET (0.60) METDRD5HTR2CHTR6POLB
SCHEMBL1583361 0.86 MET (0.80) METDRD5HTR2CHTR6POLB
SCHEMBL4987926 0.86 MET (0.61) METDRD5HTR2CHTR6POLB
SCHEMBL4437416 0.85 MET (0.60) METDRD5HTR2CHTR6POLB
SCHEMBL4994904 0.85 MET (0.63) METDRD5HTR2CHTR6POLB
SCHEMBL2011898 0.85 MET (0.62) METDRD5HTR2CHTR6POLB
SCHEMBL9909087 0.84 MET (0.61) METDRD5HTR2CHTR6POLB
SCHEMBL4437291 0.83 MET (0.57) 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.