SCHEMBL16225482

SCHEMBL16225482

Cc1onc(CN)c1-c1ccc2nc[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.71
CREBBP Q92793 1/20 0.71
PSMD11 O00231 1/20 0.44
QPCT Q16769 10/20 0.43
QPCTL Q9NXS2 3/20 0.42
PRKCI P41743 1/20 0.42
S1PR1 P21453 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
RAD52 P43351 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20004257 0.83 BRD4 (1.00) BRD4CREBBPPSMD11QPCTSMN1; SMN2
SCHEMBL16225624 0.81 BRD4 (0.62) BRD4CREBBPPSMD11QPCTQPCTL
SCHEMBL16225642 0.80 BRD4 (0.61) BRD4CREBBPPSMD11QPCTQPCTL
SCHEMBL17584446 0.76 BRD4 (0.56) BRD4CREBBPQPCTQPCTLS1PR1
SCHEMBL24913618 0.72 BRD4 (0.79) BRD4CREBBP
SCHEMBL30613342 0.72 BRD4 (0.79) BRD4CREBBP
SCHEMBL16231554 0.72 BRD4 (0.51) BRD4CREBBPQPCTS1PR1KDM4E
SCHEMBL28292424 0.71 QPCT (0.53) BRD4CREBBPQPCTQPCTLPRKCI
SCHEMBL8634290 0.71 QPCT (0.68) BRD4CREBBPPSMD11QPCTQPCTL
SCHEMBL22524620 0.69 BRD4 (0.65) BRD4CREBBPQPCT

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 1/4885CREBBP 31/4885PSMD11 854/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 BRD4 1/4885CREBBP 31/4885PSMD11 854/4885
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885CREBBP 32/4885PSMD11 841/4885
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885CREBBP 31/4885PSMD11 854/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885CREBBP 31/4885PSMD11 809/4885

“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.