SCHEMBL16657976

SCHEMBL16657976

Cc1cc(-c2nc(N[S+](C)[O-])ncc2Oc2ccc(F)cc2F)cn(CC2CCC2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.77
MAPK8 P45983 7/20 0.41
MAPK14 Q16539 4/20 0.39
CREBBP Q92793 1/20 0.38
GAK O14976 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1D P48730 1/20 0.38
RPS6KA3 P51812 1/20 0.38
MAPK10 P53779 1/20 0.38
DDR1 Q08345 1/20 0.38
MAPK11 Q15759 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
COQ8A Q8NI60 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
STK36 Q9NRP7 1/20 0.38
NLK Q9UBE8 1/20 0.38

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
SCHEMBL16657966 0.97 BRD4 (0.72) BRD4MAPK8MAPK14CREBBPGAK
SCHEMBL19931348 0.88 BRD4 (0.79) BRD4MAPK8MAPK14CREBBPGAK
SCHEMBL16650020 0.87 BRD4 (1.00) BRD4MAPK8MAPK14CREBBP
SCHEMBL25043277 0.86 BRD4 (0.78) BRD4MAPK8MAPK14CREBBPGAK
SCHEMBL16650113 0.86 BRD4 (1.00) BRD4MAPK8CREBBP
SCHEMBL19930934 0.85 BRD4 (0.77) BRD4MAPK8CREBBP
SCHEMBL19931267 0.84 BRD4 (0.74) BRD4MAPK8MAPK14CREBBPGAK
SCHEMBL21998333 0.84 BRD4 (0.66) BRD4MAPK8MAPK14CREBBP
SCHEMBL16650744 0.84 BRD4 (0.94) BRD4MAPK8MAPK14CREBBP
SCHEMBL19931225 0.83 BRD4 (0.73) BRD4MAPK8MAPK14CREBBPGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4134364-A2 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2023-02-15 EP disclosed
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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 5/4885MAPK8 1913/4885MAPK14 2056/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885MAPK8 1913/4885MAPK14 2056/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885MAPK8 1913/4885MAPK14 2056/4885
US-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 BRD4 5/4885MAPK8 1913/4885MAPK14 2056/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885MAPK8 1913/4885MAPK14 2056/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885MAPK8 1913/4885MAPK14 2056/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885MAPK8 1913/4885MAPK14 2056/4885

“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.