SCHEMBL13620048

SCHEMBL13620048

Cc1ccccc1-c1ccc(OC(F)(F)F)c(Cn2c(=O)[nH]c3cnc(NC[C@@H]4CCNC4)nc32)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP1 O94782 12/20 0.38
RIPK2 O43353 1/20 0.38
BRD4 O60885 2/20 0.37
ATAD2 Q6PL18 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
KDM1A O60341 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
SCHEMBL13620414 0.93 USP1 (0.35) USP1KDM1A
SCHEMBL13620412 0.92 KDM1A (0.39) USP1KDM1A
SCHEMBL3845553 0.91 TRIM58 (0.40) USP1BRD4ADORA3KDM1A
SCHEMBL3845548 0.91 TRIM58 (0.40) USP1BRD4ADORA3KDM1A
SCHEMBL13620230 0.89 BRD4 (0.37) USP1BRD4ATAD2ADORA3KDM1A
SCHEMBL12371632 0.87 PRKCQ (0.43) USP1BRD4KDM1A
SCHEMBL12371661 0.87 PRKCQ (0.43) USP1BRD4KDM1A
SCHEMBL12371645 0.87 PRKCQ (0.43) USP1BRD4KDM1A
SCHEMBL13620052 0.87 GRIN1 (0.37) USP1BRD4KDM1A
SCHEMBL13620376 0.86 KDM1A (0.42) KDM1A

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 1 patent. 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

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 3253/4885RIPK2 299/4885BRD4 1920/4885

“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.