SCHEMBL13620494

SCHEMBL13620494

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.35
SMYD3 Q9H7B4 2/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
ROCK2 O75116 1/20 0.33
HTR3A P46098 2/20 0.32
EPHX2 P34913 3/20 0.32
PPARG P37231 2/20 0.32
ITGA2 P17301 1/20 0.32
ENPP2 Q13822 1/20 0.32
MELK Q14680 1/20 0.32
CHEK2 O96017 1/20 0.32
MET P08581 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
SCHEMBL13620231 0.89 ADORA2A (0.35) USP1HSD17B13
SCHEMBL13620423 0.85 USP1 (0.38) USP1
SCHEMBL3848468 0.85 MCHR1 (0.42)
SCHEMBL3848466 0.85 MCHR1 (0.42)
SCHEMBL13620230 0.85 BRD4 (0.37) USP1
SCHEMBL13620381 0.84 USP1 (0.38) USP1
SCHEMBL13620288 0.84 USP1 (0.36) USP1
SCHEMBL13620229 0.84 KDM1A (0.44) USP1
SCHEMBL13620283 0.84 CDK4 (0.34) USP1
SCHEMBL12371632 0.84 PRKCQ (0.43) USP1HSD17B13EPHX2

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 3253/4885SMYD3 2182/4885ITGB3 2012/4885

“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.