SCHEMBL13737408

SCHEMBL13737408

O=C1COCc2c(Br)cccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PIM1 P11309 1/20 0.39
CSNK1A1 P48729 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
NPC1 O15118 2/20 0.37
CREBBP Q92793 8/20 0.37
BRD4 O60885 8/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL20597191 0.79 CREBBP (0.38) NPC1CREBBPBRD4MAPTAHR
SCHEMBL19938 0.78 CDK5 (0.54) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL29444532 0.78 CDK5 (0.54) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4613940 0.77 CDK5 (0.40) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL27060153 0.77 DRD2 (0.46) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL29732360 0.77 NPC1 (0.50) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL837526 0.77 NPC1 (0.50) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL30116234 0.76 CREBBP (0.45) CREBBPBRD4ALDH1A1
SCHEMBL19301904 0.76 CREBBP (0.45) CREBBPBRD4ALDH1A1
SCHEMBL27051275 0.76 BRD4 (0.37) CREBBPBRD4MAPTEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548899-B2 Fused 1,4-oxazepines and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-01-10 US disclosed
US-20210188870-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-06-24 US disclosed
EP-3416969-B1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-05-05 EP disclosed
EP-3416969-B1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-05-05 EP disclosed
EP-3416969-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2018-12-26 EP disclosed
WO-2017142881-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-24 WO disclosed
WO-2017142881-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-24 WO disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
EP-2702042-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2014-03-05 EP disclosed
WO-2012149236-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-01 WO 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 (3 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-20210188870-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CDK5 81/4885CDK5R1 53/4885CCNB2 168/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 CDK5 317/4885CDK5R1 106/4885CCNB2 1908/4885
US-11548899-B2 Fused 1,4-oxazepines and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD2 CDK5 81/4885CDK5R1 53/4885CCNB2 168/4885

“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.