SCHEMBL9909098

SCHEMBL9909098

CC1=C(C#N)[C@@H](C)C(C#N)=C(c2cccs2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
MAPT P10636 8/20 0.46
HSD17B10 Q99714 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
GFER P55789 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL9906922 0.85 MAPT (0.40) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL9909073 0.78 MAPT (0.46) KDM4EMAPTHSD17B10KMT2ALMNA
SCHEMBL14155609 0.78 MAPT (0.46) KDM4EMAPTHSD17B10KMT2ALMNA
SCHEMBL9909108 0.75 MAPT (0.44) KDM4EMAPTHSD17B10KMT2ALMNA
SCHEMBL9909107 0.72 MET (0.42) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL9909075 0.72 KDM4E (0.42) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL9909092 0.72 MET (0.53) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL14155635 0.72 MET (0.42) KDM4EMAPTHSD17B10MEN1KMT2A
SCHEMBL3753346 0.72 ALDH1A1 (0.49) KDM4EMAPTHSD17B10LMNAPOLB
SCHEMBL4989334 0.72 MET (0.43) KDM4EMAPTHSD17B10MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1582/4885MAPT 1550/4885HSD17B10 3938/4885

“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.