SCHEMBL13620229

SCHEMBL13620229

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.44
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
CHEK1 O14757 5/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
FASN P49327 1/20 0.35
USP1 O94782 1/20 0.34
DDR1 Q08345 1/20 0.34
MAOB P27338 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
SCHEMBL13620483 0.94 KDM1A (0.47) KDM1AJAK2JAK3CHEK1FASN
SCHEMBL13620282 0.93 KDM1A (0.38) KDM1AJAK2JAK3CHEK1ADORA2A
SCHEMBL13620376 0.93 KDM1A (0.42) KDM1AJAK2JAK3CHEK1ADORA2A
SCHEMBL13620230 0.90 BRD4 (0.37) KDM1ACHEK1ADORA2AADORA1USP1
SCHEMBL3848466 0.90 MCHR1 (0.42) KDM1ASLC6A4DDR1
SCHEMBL3848468 0.90 MCHR1 (0.42) KDM1ASLC6A4DDR1
SCHEMBL13620423 0.90 USP1 (0.38) KDM1AJAK2JAK3CHEK1ADORA2A
SCHEMBL13620288 0.88 USP1 (0.36) KDM1AADORA2AADORA1USP1DDR1
SCHEMBL12371632 0.88 PRKCQ (0.43) KDM1ACHEK1ADORA2AADORA1USP1
SCHEMBL12371645 0.88 PRKCQ (0.43) KDM1ACHEK1ADORA2AADORA1USP1

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 KDM1A 1070/4885JAK2 1072/4885JAK3 1062/4885

“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.