SCHEMBL13620231

SCHEMBL13620231

COC(=O)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 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
BRD4 O60885 2/20 0.34
USP1 O94782 4/20 0.34
PIM1 P11309 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
FLT3 P36888 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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 0.89 BRD4 (0.37) ADORA2AADORA1BRD4USP1PIM1
SCHEMBL13620494 0.89 USP1 (0.35) USP1HSD17B13
SCHEMBL13620381 0.88 USP1 (0.38) BRD4USP1FLT3ATAD2DDR1
SCHEMBL13620288 0.88 USP1 (0.36) ADORA2AADORA1BRD4USP1ATAD2
SCHEMBL13620423 0.88 USP1 (0.38) ADORA2AADORA1BRD4USP1ATAD2
SCHEMBL3848468 0.88 MCHR1 (0.42) BRD4ATAD2DDR1ADRA2ANPY5R
SCHEMBL3848466 0.88 MCHR1 (0.42) BRD4ATAD2DDR1ADRA2ANPY5R
SCHEMBL13620229 0.86 KDM1A (0.44) ADORA2AADORA1USP1DDR1KDM1A
SCHEMBL13620283 0.86 CDK4 (0.34) ADORA2AADORA1BRD4USP1FLT3
SCHEMBL13620072 0.86 USP1 (0.36) BRD4USP1ATAD2ADRA2ANPY5R

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 ADORA2A 975/4885ADORA1 1091/4885TPH1 2552/4885

“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.