SCHEMBL3851160

SCHEMBL3851160

O=C(O)N1CCC(CNc2ncc3[nH]c(=O)n(Cc4cc(-c5ccccc5)ccc4Cl)c3n2)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
USP1 O94782 10/20 0.38
GRIN2B Q13224 2/20 0.36
VCP P55072 3/20 0.35
CXCR4 P61073 2/20 0.35
HTR2B P41595 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
SCHEMBL13608049 0.92 GPR6 (0.36) ADORA3USP1GRIN2BVCP
SCHEMBL13608050 0.90 PARP1 (0.46) USP1
SCHEMBL3844885 0.89 USP1 (0.36) USP1GRIN2B
SCHEMBL3847751 0.87 MCHR1 (0.37) ADORA3USP1GRIN2B
SCHEMBL3852115 0.85 KDM1A (0.45) ADORA3USP1
SCHEMBL3852109 0.85 KDM1A (0.45) ADORA3USP1
SCHEMBL3843922 0.83 GRIN2B (0.42) ADORA3USP1GRIN2BVCP
SCHEMBL13608065 0.82 MCHR1 (0.36) USP1GRIN2BHTR2B
SCHEMBL3845689 0.81 USP1 (0.43) ADORA3USP1VCP
SCHEMBL13608041 0.81 GPR6 (0.35) USP1

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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ ADORA3 1135/4885USP1 3253/4885GRIN2B 953/4885

“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.