SCHEMBL700356

SCHEMBL700356

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.44
HDAC1 Q13547 12/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
INSR P06213 1/20 0.40
CDK4 P11802 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL702866 0.90 HDAC1 (0.52) IGF1RHDAC1CDK4CCNE1CDK2
SCHEMBL701093 0.89 IGF1R (0.42) IGF1REGFRERBB2INSRCDK4
SCHEMBL701827 0.88 HDAC1 (0.51) IGF1RHDAC1EGFRERBB2INSR
SCHEMBL700320 0.86 HDAC1 (0.53) IGF1RHDAC1EGFRERBB2INSR
SCHEMBL700312 0.83 HDAC1 (0.51) IGF1RHDAC1EGFRERBB2CDK4
SCHEMBL699362 0.79 CDK2 (0.43) IGF1REGFRERBB2INSRCDK4
SCHEMBL699854 0.78 HDAC1 (0.65) HDAC1CDK4CCNE1CDK2
SCHEMBL700180 0.78 CDK2 (0.49) IGF1RHDAC1EGFRERBB2INSR
SCHEMBL12791083 0.77 CACNA1B (0.41) HDAC1CDK2
SCHEMBL3352924 0.77 HDAC1 (0.42) IGF1RHDAC1INSR

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 5 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
JP-2011528040-A 2011-11-10 JP claimed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 EP claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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 1719/4885HDAC1 1/4885EGFR 2330/4885

“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.