SCHEMBL699362

SCHEMBL699362

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)s4)n3)c(C)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.43
CCNE1 P24864 5/20 0.43
CDK4 P11802 5/20 0.43
IGF1R P08069 3/20 0.40
CDK1 P06493 2/20 0.39
SYK P43405 4/20 0.38
MKNK2 Q9HBH9 3/20 0.38
INSR P06213 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
IKBKB O14920 1/20 0.37
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 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
SCHEMBL701093 0.89 IGF1R (0.42) CDK2CCNE1CDK4IGF1RSYK
SCHEMBL702866 0.87 HDAC1 (0.52) CDK2CCNE1CDK4IGF1R
SCHEMBL701790 0.85 CDK2 (0.47) CDK2CCNE1CDK4IGF1RCDK1
SCHEMBL702195 0.84 CDK2 (0.62) CDK2CCNE1CDK4CDK1PRKD3
SCHEMBL699814 0.84 CDK2 (0.51) CDK2CCNE1CDK4IGF1RCDK1
SCHEMBL12791049 0.79 SYK (0.46) CDK2SYKPRKD3MAP4K4PIM1
SCHEMBL700356 0.79 IGF1R (0.44) CDK2CCNE1CDK4IGF1RINSR
SCHEMBL7964048 0.78 CDK2 (0.61) CDK2CCNE1CDK4CDK1SYK
SCHEMBL7976848 0.78 CDK2 (0.53) CDK2CCNE1CDK4IGF1RCDK1
SCHEMBL7981330 0.78 CDK2 (0.55) CDK2CCNE1CDK4IGF1RCDK1

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed

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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885CCNE1 75/4885CDK4 15/4885

“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.