SCHEMBL701995

SCHEMBL701995

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)cn4)c3)c(C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
HDAC6 Q9UBN7 9/20 0.37
HDAC1 Q13547 8/20 0.37
HDAC2 Q92769 5/20 0.36
KDM1A O60341 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
HDAC3 O15379 4/20 0.36
GRM5 P41594 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
METTL3 Q86U44 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
SCHEMBL7975602 0.91 SYK (0.39) SYKMAPK13MAPK12MAPK11MAPK14
SCHEMBL10255574 0.89 SYK (0.51) SYKHDAC6HDAC1HDAC2MAPK13
SCHEMBL700084 0.85 XIAP (0.45) SYKHDAC6HDAC1MAPK13MAPK12
SCHEMBL10252204 0.82 SYK (0.48) SYKCYP2C19
SCHEMBL7975631 0.78 CDK2 (0.44) SYK
SCHEMBL10252455 0.76 CDK2 (0.45) SYK
SCHEMBL700972 0.75 HDAC6 (0.47) HDAC6HDAC1HDAC2HDAC3
SCHEMBL699814 0.75 CDK2 (0.51) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL700609 0.74 CDK2 (0.47) HDAC6HDAC1HDAC2HDAC8HDAC5
SCHEMBL699264 0.73 HDAC1 (0.57) HDAC6HDAC1HDAC2HDAC8HDAC5

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
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
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
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 SYK 3840/4885HDAC6 25/4885HDAC1 1/4885

“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.