SCHEMBL3845689

SCHEMBL3845689

O=C(O)N1CCC(CNc2ncc3[nH]c(=O)n(Cc4cccc(-c5ccccc5F)c4)c3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP1 O94782 18/20 0.43
VCP P55072 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL3843922 0.90 GRIN2B (0.42) USP1VCPADORA3
SCHEMBL13608076 0.90 PARP1 (0.47) USP1
SCHEMBL3844922 0.86 GRIN2B (0.41) USP1ADORA3
SCHEMBL3846979 0.84 GRIN2B (0.37) USP1VCP
SCHEMBL3850496 0.84 USP1 (0.42) USP1ADORA3
SCHEMBL3850492 0.84 USP1 (0.42) USP1ADORA3
SCHEMBL3851160 0.81 ADORA3 (0.38) USP1VCPADORA3
SCHEMBL13608080 0.80 PARP1 (0.48) USP1
SCHEMBL3847751 0.79 MCHR1 (0.37) USP1ADORA3
SCHEMBL3848020 0.78 USP1 (0.37) USP1ADORA3

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 USP1 3253/4885VCP 3230/4885ADORA3 1135/4885

“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.