SCHEMBL15067938

SCHEMBL15067938

NS(=O)(=O)c1cnc(NCC2CC2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.49
PRKCQ Q04759 6/20 0.38
PTGER4 P35408 1/20 0.38
PTGS2 P35354 1/20 0.37
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR2 O15552 1/20 0.37
IDH2 P48735 1/20 0.36
CA2 P00918 2/20 0.35
PDE10A Q9Y233 1/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL1700000 0.91 BRD4 (0.43) BRD4PRKCQPTGS2ALDH1A1
SCHEMBL15067968 0.84 BRD4 (0.52) BRD4PRKCQALDH1A1IDH2
SCHEMBL15702499 0.80 IDH2 (0.57) BRD4ALDH1A1IDH2
SCHEMBL1700273 0.78 BRD4 (0.43) BRD4PTGS2ALDH1A1FFAR2
SCHEMBL31344660 0.78 BRD4 (0.43) BRD4PTGS2ALDH1A1FFAR2
SCHEMBL1700296 0.75 BRD4 (0.43) BRD4PRKCQPTGS2
SCHEMBL15068154 0.74 BRD4 (0.49) BRD4PTGS2ALDH1A1CA2CA1
SCHEMBL1700918 0.74 BRD4 (0.43) BRD4PRKCQ
SCHEMBL15067799 0.74 BRD4 (0.53) BRD4PTGER4CA2CA1CA9
SCHEMBL15067934 0.74 BRD4 (0.47) BRD4FFAR2CA2CA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20210236508-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-08-05 US disclosed
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
CN-106986872-B Bromodomain inhibitors 艾伯维公司 2020-04-21 CN disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP disclosed
US-20160143916-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-05-26 US disclosed
US-9296741-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-03-29 US disclosed
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. 2016-02-11 US disclosed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 EP disclosed
US-20140162971-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-06-12 US disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 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 (10 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-20180296566-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PRKCQ 3567/4885PTGER4 494/4885
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 BRD4 3/4885PRKCQ 3234/4885PTGER4 122/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PRKCQ 2446/4885PTGER4 639/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PRKCQ 2446/4885PTGER4 639/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PRKCQ 2446/4885PTGER4 639/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PRKCQ 3567/4885PTGER4 494/4885
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PRKCQ 2564/4885PTGER4 553/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PRKCQ 3567/4885PTGER4 494/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PRKCQ 3567/4885PTGER4 494/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PRKCQ 3567/4885PTGER4 494/4885

“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.