SCHEMBL3846979

SCHEMBL3846979

Cc1c(Cn2c(=O)[nH]c3cnc(NCC4CCN(C(=O)O)C4)nc32)cccc1-c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.37
USP1 O94782 10/20 0.37
VCP P55072 1/20 0.37
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
CHRM3 P20309 3/20 0.35
GRIN1 Q05586 2/20 0.35
JAK1 P23458 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
SCHEMBL13608089 0.91 PARP1 (0.41) GRIN2BUSP1JAK2JAK3
SCHEMBL3843922 0.88 GRIN2B (0.42) GRIN2BUSP1VCPGRIN1
SCHEMBL3848020 0.86 USP1 (0.37) GRIN2BUSP1JAK2JAK3JAK1
SCHEMBL3848059 0.85 CHRM3 (0.40) GRIN2BUSP1JAK2JAK3CHRM3
SCHEMBL3848056 0.85 CHRM3 (0.40) GRIN2BUSP1JAK2JAK3CHRM3
SCHEMBL3845689 0.84 USP1 (0.43) USP1VCP
SCHEMBL3851160 0.80 ADORA3 (0.38) GRIN2BUSP1VCP
SCHEMBL13608080 0.80 PARP1 (0.48) GRIN2BUSP1JAK2JAK3
SCHEMBL3844922 0.79 GRIN2B (0.41) GRIN2BUSP1
SCHEMBL3847751 0.78 MCHR1 (0.37) GRIN2BUSP1

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 953/4885USP1 3253/4885VCP 3230/4885

“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.