SCHEMBL3850528

SCHEMBL3850528

CN(c1ncc2[nH]c(=O)n(Cc3cc(Br)ccc3Cl)c2n1)[C@@H]1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP1 O94782 13/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90B1 P14625 2/20 0.35
TRAP1 Q12931 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
DDR1 Q08345 2/20 0.34
OPRM1 P35372 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
SCHEMBL3852106 0.88 ADORA3 (0.42) USP1ADORA3
SCHEMBL3848463 0.86 DDR1 (0.38) USP1DDR1
SCHEMBL3850531 0.79 KDM1A (0.43) USP1HSP90AA1HSP90B1TRAP1JAK2
SCHEMBL3850532 0.79 KDM1A (0.43) USP1HSP90AA1HSP90B1TRAP1JAK2
SCHEMBL3845187 0.79 ADORA3 (0.37) USP1ADORA3JAK2JAK3
SCHEMBL3846520 0.78 DDR1 (0.43) USP1HSP90AA1HSP90B1TRAP1ADORA3
SCHEMBL3846522 0.78 DDR1 (0.43) USP1HSP90AA1HSP90B1TRAP1ADORA3
SCHEMBL3845141 0.78 USP1 (0.40) USP1ADORA3
SCHEMBL3849028 0.77 DDR1 (0.39) USP1HSP90AA1HSP90B1TRAP1ADORA3
SCHEMBL3849031 0.77 DDR1 (0.39) USP1HSP90AA1HSP90B1TRAP1ADORA3

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 3253/4885HSP90AA1 3427/4885HSP90B1 2327/4885

“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.