SCHEMBL7974764

SCHEMBL7974764

COc1ccn2c(-c3ccnc(Cl)c3)c(C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.38
DYRK1A Q13627 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
S1PR1 P21453 1/20 0.37
SYK P43405 2/20 0.37
COMT P21964 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 2/20 0.35
CYP3A4 P08684 2/20 0.35
PDE10A Q9Y233 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PRKACA P17612 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 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
SCHEMBL10252170 0.84 COMT (0.52) SYKCOMT
SCHEMBL7965088 0.79 CDK2 (0.54) DYRK1A
SCHEMBL20637198 0.73 MAPT (0.45) AKT1AKT2
SCHEMBL7975602 0.72 SYK (0.39) SYK
SCHEMBL22153369 0.72 PDE10A (0.46) AKT1AKT2ADORA3PDE10A
SCHEMBL701995 0.71 SYK (0.40) SYK
SCHEMBL7977849 0.69 PDE10A (0.39) AKT1AKT2ADORA3PDE10A
SCHEMBL17930597 0.68 DYRK1A (0.59) DYRK1AROCK1ROCK2CYP3A4PRKACA
SCHEMBL29792641 0.67
SCHEMBL287199 0.67

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 PI4KB 512/4885DYRK1A 3146/4885AKT1 720/4885

“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.