SCHEMBL13620288

SCHEMBL13620288

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP1 O94782 11/20 0.36
BRD4 O60885 2/20 0.34
ATAD2 Q6PL18 1/20 0.34
KDM1A O60341 3/20 0.34
MCHR1 Q99705 2/20 0.34
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
DDR1 Q08345 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL13620230 0.91 BRD4 (0.37) USP1BRD4ATAD2KDM1AMCHR1
SCHEMBL13620283 0.91 CDK4 (0.34) USP1BRD4ATAD2KDM1AMCHR1
SCHEMBL13620072 0.91 USP1 (0.36) USP1BRD4ATAD2KDM1AMCHR1
SCHEMBL3848466 0.90 MCHR1 (0.42) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL13620423 0.90 USP1 (0.38) USP1BRD4ATAD2KDM1AMCHR1
SCHEMBL3848468 0.90 MCHR1 (0.42) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL13620229 0.88 KDM1A (0.44) USP1KDM1ADDR1ADORA2AADORA1
SCHEMBL13620231 0.88 ADORA2A (0.35) USP1BRD4ATAD2KDM1AMCHR1
SCHEMBL12371632 0.88 PRKCQ (0.43) USP1BRD4KDM1AMCHR1ADRA2A
SCHEMBL12371645 0.88 PRKCQ (0.43) USP1BRD4KDM1AMCHR1ADRA2A

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 3253/4885BRD4 1920/4885ATAD2 3413/4885

“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.