SCHEMBL3843922

SCHEMBL3843922

O=C(O)N1CCC(CNc2ncc3[nH]c(=O)n(Cc4cccc(-c5cccc(F)c5)c4)c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.42
VCP P55072 2/20 0.40
GRIN1 Q05586 4/20 0.39
USP1 O94782 7/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CDK9 P50750 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL3845689 0.90 USP1 (0.43) VCPUSP1ADORA3
SCHEMBL13608080 0.89 PARP1 (0.48) GRIN2BUSP1PARP1PARP2CDK9
SCHEMBL3846979 0.88 GRIN2B (0.37) GRIN2BVCPGRIN1USP1
SCHEMBL3844922 0.88 GRIN2B (0.41) GRIN2BUSP1ADORA3
SCHEMBL3847971 0.83 CDK9 (0.42) GRIN2BVCPGRIN1USP1CDK9
SCHEMBL3847968 0.83 CDK9 (0.42) GRIN2BVCPGRIN1USP1CDK9
SCHEMBL3851160 0.83 ADORA3 (0.38) GRIN2BVCPUSP1ADORA3
SCHEMBL3847751 0.81 MCHR1 (0.37) GRIN2BUSP1ADORA3ADORA2AADORA1
SCHEMBL13608076 0.81 PARP1 (0.47) USP1PARP1PARP2CDK9
SCHEMBL3848020 0.79 USP1 (0.37) GRIN2BUSP1ADORA3

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 GRIN2B 953/4885VCP 3230/4885GRIN1 554/4885

“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.