SCHEMBL16658296

SCHEMBL16658296

CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3occc23)c(Oc2ccc(F)cc2F)nn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.52
BRD2 P25440 1/20 0.50
ADORA2B P29275 1/20 0.50
TSPO P30536 1/20 0.50
EP300 Q09472 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50

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
SCHEMBL16650670 0.87 BRD4 (0.68) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29848983 0.87 BRD4 (0.68) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29849047 0.84 BRD4 (0.70) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16650930 0.84 BRD4 (0.70) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16650105 0.80 BRD4 (0.55) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16658281 0.80 BRD4 (0.46) BRD4BRDT
SCHEMBL16658295 0.79 BRD4 (0.56) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16650388 0.77 BRD4 (0.71) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29849016 0.77 BRD4 (0.71) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16658331 0.77 BRD4 (0.51) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 US disclosed
US-10562915-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-02-18 US disclosed
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 US disclosed
WO-2015058160-A1 BROMODOMAIN INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-04-23 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 (8 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-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-10562915-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885BRD2 8/4885ADORA2B 4607/4885

“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.