SCHEMBL13620230

SCHEMBL13620230

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.37
ATAD2 Q6PL18 2/20 0.37
ADORA3 P0DMS8 1/20 0.35
KDM1A O60341 2/20 0.34
MCHR1 Q99705 2/20 0.34
ADRA2A P08913 1/20 0.34
NPY5R Q15761 1/20 0.34
KCNH2 Q12809 3/20 0.34
PIM1 P11309 2/20 0.34
FLT3 P36888 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
DDR1 Q08345 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SYK P43405 1/20 0.34
AURKB Q96GD4 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
SCHEMBL13620288 0.91 USP1 (0.36) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL3848466 0.91 MCHR1 (0.42) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL3848468 0.91 MCHR1 (0.42) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL13620423 0.91 USP1 (0.38) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL13620229 0.90 KDM1A (0.44) KDM1ADDR1ADORA2AADORA1USP1
SCHEMBL13620072 0.89 USP1 (0.36) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL13620283 0.89 CDK4 (0.34) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL13620231 0.89 ADORA2A (0.35) BRD4ATAD2KDM1AMCHR1ADRA2A
SCHEMBL12371632 0.89 PRKCQ (0.43) BRD4KDM1AMCHR1ADRA2ANPY5R
SCHEMBL12371645 0.89 PRKCQ (0.43) BRD4KDM1AMCHR1ADRA2ANPY5R

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 BRD4 1920/4885ATAD2 3413/4885ADORA3 1135/4885

“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.