SCHEMBL16225282

SCHEMBL16225282

Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc(N)c1N

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.64
JAK2 O60674 1/20 0.46
ATAD2 Q6PL18 1/20 0.39
BRD2 P25440 2/20 0.39
ERN1 O75460 1/20 0.38
BRD3 Q15059 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
SCHEMBL16225464 0.86 BRD4 (0.51) BRD4JAK2ATAD2BRD2ERN1
SCHEMBL16259137 0.83 BRD4 (0.57) BRD4JAK2ATAD2BRD2ERN1
SCHEMBL17698648 0.79 BRD4 (0.67) BRD4JAK2BRD2BRD3
SCHEMBL16225315 0.78 BRD4 (1.00) BRD4JAK2BRD2BRD3
SCHEMBL16230878 0.78 BRD4 (0.69) BRD4JAK2BRD2BRD3
SCHEMBL17773295 0.75 BRD4 (0.41) BRD4JAK2ATAD2BRD2ERN1
SCHEMBL20362718 0.75 BRD4 (0.49) BRD4JAK2ATAD2BRD2ERN1
SCHEMBL16226222 0.75 BRD4 (0.68) BRD4JAK2BRD2BRD3
SCHEMBL16110369 0.75 BRD4 (0.65) BRD4JAK2BRD2BRD3
SCHEMBL16110425 0.73 BRD4 (0.48) BRD4JAK2ATAD2BRD2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994469-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2018-12-19 EP disclosed
US-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2018-10-04 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2016-03-17 US disclosed
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2016-03-17 US disclosed
EP-2994469-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS Gilead Sciences, Inc. (US) 2016-03-16 EP disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 WO disclosed
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 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 (5 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-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885JAK2 637/4885ATAD2 403/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 BRD4 1/4885JAK2 637/4885ATAD2 403/4885
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885JAK2 626/4885ATAD2 397/4885
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885JAK2 637/4885ATAD2 403/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885JAK2 632/4885ATAD2 407/4885

“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.