SCHEMBL7976853

SCHEMBL7976853

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.42
CDK4 P11802 5/20 0.42
INSR P06213 1/20 0.41
CCNE1 P24864 5/20 0.41
IGF1R P08069 3/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
KCNH2 Q12809 1/20 0.40
CDK1 P06493 2/20 0.39
SYK P43405 2/20 0.39
PTK2 Q05397 1/20 0.39
CDK19 Q9BWU1 1/20 0.39

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
SCHEMBL7975185 0.91 INSR (0.42) CDK2INSRIGF1REGFRERBB2
SCHEMBL7974320 0.89 IGF1R (0.42) CDK2CDK4CCNE1IGF1REGFR
SCHEMBL7980921 0.89 CDK2 (0.43) CDK2CDK4CCNE1KCNH2CDK1
SCHEMBL4528687 0.86 CSNK2A1 (0.42) CDK2SYK
SCHEMBL7976431 0.84 CDK2 (0.42) CDK2CDK4INSRCCNE1KCNH2
SCHEMBL7964761 0.84 HDAC1 (0.48) CDK2CDK4CCNE1KCNH2CDK1
SCHEMBL10252382 0.84 CDK2 (0.42) CDK2INSRIGF1RKCNH2CDK1
SCHEMBL7995054 0.83 CDK2 (0.43) CDK2CDK4INSRCCNE1IGF1R
SCHEMBL699814 0.82 CDK2 (0.51) CDK2CDK4CCNE1IGF1RCDK1
SCHEMBL10251997 0.81 CDK2 (0.45) CDK2KCNH2CDK1

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 4 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 disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885CDK4 15/4885INSR 3091/4885

“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.