SCHEMBL7975602

SCHEMBL7975602

COC(=O)c1ccc(Nc2cc(-c3c(C)nc4cc(OC)ccn34)ccn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.39
GRM5 P41594 1/20 0.37
CCNT1 O60563 5/20 0.35
CDK9 P50750 5/20 0.35
PIK3C3 Q8NEB9 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAP3K12 Q12852 1/20 0.34
WNT3A P56704 2/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL701995 0.91 SYK (0.40) SYKGRM5MAPK13MAPK12MAPK11
SCHEMBL10252204 0.91 SYK (0.48) SYKCCNT1CDK9PIK3C3
SCHEMBL7975631 0.87 CDK2 (0.44) SYKCDK9
SCHEMBL10255574 0.80 SYK (0.51) SYKCCNT1CDK9PIK3C3MAPK13
SCHEMBL10252455 0.77 CDK2 (0.45) SYKPIK3C3
SCHEMBL7978465 0.77 CDK2 (0.47) CDK9
SCHEMBL700084 0.76 XIAP (0.45) SYKMAPK13MAPK12MAPK11MAPK14
SCHEMBL7975428 0.76 CDK2 (0.47)
SCHEMBL10252168 0.74 XIAP (0.47) SYKCDK9MAPK10
SCHEMBL7976848 0.74 CDK2 (0.53) SYKCCNT1CDK9

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 3 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
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 3840/4885GRM5 2543/4885CCNT1 69/4885

“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.