SCHEMBL701093

SCHEMBL701093

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.42
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
INSR P06213 1/20 0.38
SYK P43405 5/20 0.38
SRC P12931 3/20 0.38
ZAP70 P43403 3/20 0.38
CDK2 P24941 5/20 0.36
CDK4 P11802 3/20 0.36
CCNE1 P24864 1/20 0.36
GSK3B P49841 2/20 0.35
STK16 O75716 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ABL1 P00519 1/20 0.35
RAF1 P04049 1/20 0.35
FGFR1 P11362 1/20 0.35
BRAF P15056 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
SCHEMBL699362 0.89 CDK2 (0.43) IGF1REGFRERBB2INSRSYK
SCHEMBL700356 0.89 IGF1R (0.44) IGF1REGFRERBB2INSRCDK2
SCHEMBL701224 0.85 IGF1R (0.47) IGF1REGFRERBB2INSRSYK
SCHEMBL700180 0.84 CDK2 (0.49) IGF1REGFRERBB2INSRSYK
SCHEMBL701790 0.81 CDK2 (0.47) IGF1RSYKSRCZAP70CDK2
SCHEMBL7963827 0.80 CCNT1 (0.51) IGF1RINSRCDK2CDK4CCNE1
SCHEMBL7974201 0.80 IGF1R (0.46) IGF1REGFRERBB2INSRSYK
SCHEMBL702866 0.77 HDAC1 (0.52) IGF1RCDK2CDK4CCNE1
SCHEMBL700320 0.75 HDAC1 (0.53) IGF1REGFRERBB2INSRABL1
SCHEMBL701827 0.75 HDAC1 (0.51) IGF1REGFRERBB2INSRSYK

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 IGF1R 1719/4885EGFR 2330/4885ERBB2 1230/4885

“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.