SCHEMBL17877325

SCHEMBL17877325

Cc1noc(C)c1-c1cc(Br)c2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.46
NSD3 Q9BZ95 1/20 0.42
BRD2 P25440 2/20 0.41
ERN1 O75460 1/20 0.40
JAK2 O60674 1/20 0.39
ACACB O00763 1/20 0.38
BRD3 Q15059 1/20 0.37
CREBBP Q92793 1/20 0.37
NOS1 P29475 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
SCHEMBL17698710 0.84 BRD4 (0.47) BRD4NSD3BRD2ERN1JAK2
SCHEMBL17698705 0.76 NSD3 (0.50) BRD4NSD3BRD2ACACBBRD3
SCHEMBL17581505 0.75 BRD4 (0.68) BRD4NSD3BRD2CREBBP
SCHEMBL17698650 0.75 BRD4 (0.41) BRD4NSD3BRD2ACACBBRD3
SCHEMBL17698733 0.75 BRD4 (0.52) BRD4NSD3BRD2ACACBBRD3
SCHEMBL17698692 0.75 ACACB (0.41) BRD4NSD3BRD2ACACBCREBBP
SCHEMBL17581483 0.74 BRD4 (0.63) BRD4NSD3BRD2JAK2CREBBP
SCHEMBL17581434 0.71 BRD4 (0.63) BRD4NSD3BRD2JAK2BRD3
SCHEMBL17698700 0.71 TRPA1 (0.46) BRD4NSD3ACACB
SCHEMBL17698651 0.71 BRD4 (0.47) BRD4NSD3BRD2ACACBBRD3

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
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 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 (2 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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885NSD3 55/4885BRD2 3/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885NSD3 55/4885BRD2 3/4885

“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.