SCHEMBL13620381

SCHEMBL13620381

CC(=O)Nc1ccc(OC(F)(F)F)c(Cn2c(=O)[nH]c3cnc(NC[C@@H]4CCNC4)nc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.38
S1PR2 O95136 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PLK1 P53350 1/20 0.35
CCNA1 P78396 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
DDR1 Q08345 3/20 0.35
CDK4 P11802 1/20 0.34
FLT3 P36888 4/20 0.34
CHEK1 O14757 3/20 0.34
ENPP1 P22413 1/20 0.34
BRD4 O60885 2/20 0.33
KDM1A O60341 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SYK P43405 1/20 0.32
PCK1 P35558 1/20 0.32

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
SCHEMBL13620283 0.91 CDK4 (0.34) USP1DDR1CDK4FLT3CHEK1
SCHEMBL13620230 0.89 BRD4 (0.37) USP1DDR1CDK4FLT3CHEK1
SCHEMBL13620231 0.88 ADORA2A (0.35) USP1DDR1FLT3BRD4KDM1A
SCHEMBL13620288 0.87 USP1 (0.36) USP1DDR1BRD4KDM1AATAD2
SCHEMBL3848466 0.87 MCHR1 (0.42) DDR1BRD4KDM1AATAD2
SCHEMBL3848468 0.87 MCHR1 (0.42) DDR1BRD4KDM1AATAD2
SCHEMBL13620423 0.87 USP1 (0.38) USP1DDR1CHEK1BRD4KDM1A
SCHEMBL13620229 0.86 KDM1A (0.44) USP1DDR1CHEK1KDM1A
SCHEMBL13620072 0.85 USP1 (0.36) USP1CCNA2CDK2CCNA1BRD4
SCHEMBL12371632 0.85 PRKCQ (0.43) USP1CHEK1BRD4KDM1A

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 3253/4885S1PR2 2741/4885CCNA2 2033/4885

“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.