SCHEMBL5482012

SCHEMBL5482012

Cc1ncc(C#N)c(N)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
CDK1 P06493 2/20 0.49
KDR P35968 2/20 0.49
MAPT P10636 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
CHUK O15111 1/20 0.49
ROCK2 O75116 1/20 0.49
CHEK2 O96017 1/20 0.49
INSR P06213 1/20 0.49
CSF1R P07333 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
FLT1 P17948 1/20 0.49

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
SCHEMBL5480719 0.80 KDM4E (0.48) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL1146649 0.75 BRD4 (0.50) CDK1KDRKMT2ANPC1RAB9A
SCHEMBL31409720 0.74 KDM4E (0.40) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL3259926 0.73 ALDH1A1 (0.46) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL5483517 0.72 ADORA2A (0.60) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL29588691 0.72 CSNK1A1 (0.40) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL5030532 0.72 CSNK1A1 (0.40) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL7092833 0.71 ALDH1A1 (0.65) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL169815 0.71 CYP11B1 (0.49) KDM4EADORA2AADORA1ALDH1A1HTT
SCHEMBL5149644 0.71 ALDH1A1 (0.55) KDM4EADORA2AADORA1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 KDM4E 959/4885ADORA2A 1009/4885ADORA1 671/4885

“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.