SCHEMBL13620072

SCHEMBL13620072

CC(C)Cc1ccc(OC(F)(F)F)c(Cn2c(=O)[nH]c3cnc(NC[C@@H]4CCNC4)nc32)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP1 O94782 14/20 0.36
BRD4 O60885 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PRKCQ Q04759 1/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM1A O60341 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
SCHEMBL13620288 0.91 USP1 (0.36) USP1BRD4ATAD2ADRA2ANPY5R
SCHEMBL13620230 0.89 BRD4 (0.37) USP1BRD4ATAD2PRKCQADRA2A
SCHEMBL13620283 0.89 CDK4 (0.34) USP1BRD4ATAD2ADRA2ANPY5R
SCHEMBL3848466 0.88 MCHR1 (0.42) BRD4ATAD2PRKCQADRA2ANPY5R
SCHEMBL3848468 0.88 MCHR1 (0.42) BRD4ATAD2PRKCQADRA2ANPY5R
SCHEMBL13620423 0.88 USP1 (0.38) USP1BRD4ATAD2PRKCQADRA2A
SCHEMBL13620229 0.86 KDM1A (0.44) USP1KDM1A
SCHEMBL13620231 0.86 ADORA2A (0.35) USP1BRD4ATAD2ADRA2ANPY5R
SCHEMBL12371632 0.86 PRKCQ (0.43) USP1BRD4PRKCQADRA2ANPY5R
SCHEMBL12371645 0.86 PRKCQ (0.43) USP1BRD4PRKCQADRA2ANPY5R

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 1920/4885CCNE2 3162/4885

“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.