SCHEMBL763376

SCHEMBL763376

CCc1ccc2ccc(=O)n(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 7/20 0.53
BRD4 O60885 3/20 0.53
BRD9 Q9H8M2 3/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
KAT2B Q92831 1/20 0.53
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALOX5 P09917 4/20 0.41
HTR7 P34969 1/20 0.40
DAO P14920 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.37

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
SCHEMBL763370 0.87 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL1119743 0.84 BRPF1 (0.52) BRPF1BRD4BRD9CA12CA9
SCHEMBL31425886 0.77 BRPF1 (0.49) BRPF1CYP1A2CYP2A6HTR7DAO
SCHEMBL16979074 0.76 CYP1A2 (0.44) CYP1A2CYP2A6HTR7NPC1MAPT
SCHEMBL10208325 0.75 HTR7 (0.37) BRPF1CYP1A2CYP2A6HTR7DAO
SCHEMBL1119899 0.75 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL13886419 0.74 BRPF1 (0.56) BRPF1BRD4BRD9CA12CA9
SCHEMBL14423413 0.73 TP53 (0.54) ALDH1A1LMNARAB9APGRRORA
SCHEMBL8303438 0.73 CYP2A6 (0.50) CYP1A2CYP2A6HTR7DAOMAPT
SCHEMBL16932310 0.73 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323814-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2018-05-23 EP disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 BRPF1 4389/4885BRD4 3725/4885BRD9 3419/4885

“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.