SCHEMBL9909076

SCHEMBL9909076

CC1=C(C#N)[C@@H](C)C(C#N)=C(c2ccco2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 11/20 0.36
ALDH1A1 P00352 12/20 0.36
HPGD P15428 7/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
GLA P06280 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 8/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 1/20 0.34
TSHR P16473 2/20 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
SCHEMBL9906912 0.84 SMN1; SMN2 (0.36) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL9909073 0.76 MAPT (0.46) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL9909108 0.74 MAPT (0.44) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL4994880 0.72 MET (0.42) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL9909098 0.72 KDM4E (0.46) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL9909092 0.71 MET (0.53) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL14155635 0.71 MET (0.42) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL3753346 0.71 ALDH1A1 (0.49) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL14155664 0.71 AR (0.38) SMN1; SMN2HTTKDM4EALDH1A1HPGD
SCHEMBL9909095 0.71 ALDH1A1 (0.44) SMN1; SMN2HTTKDM4EALDH1A1HPGD

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 SMN1; SMN2 1841/4885HTT 2390/4885KDM4E 1582/4885

“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.