SCHEMBL17698643

SCHEMBL17698643

Cc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(NCc3ccccc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.51
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17698795 0.94 BRD4 (0.50) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698816 0.88 BRD4 (0.60) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698807 0.85 BRD4 (0.56) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698736 0.85 BRD4 (0.51) BRD4BRD2BRD3
SCHEMBL20362755 0.85 BRD4 (0.52) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698658 0.84 BRD4 (0.49) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698803 0.83 CYP3A4 (0.47) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698711 0.82 BRD4 (0.47) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL16225395 0.81 BRD4 (0.51) BRD4CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17698679 0.81 BRD4 (0.61) BRD4BRD2BRD3

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-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-01-01 US claimed
US-9999616-B2 2018-06-19 US claimed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US claimed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US claimed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US claimed
US-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-01-01 US disclosed
US-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-01-01 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
EP-3010918-A2 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS Zenith Epigenetics Corp. (CA) 2016-04-27 EP 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 (3 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-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 BRD4 1/4885CYP3A4 3876/4885ALDH1A1 4472/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885CYP3A4 4167/4885ALDH1A1 4515/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885CYP3A4 4167/4885ALDH1A1 4515/4885

“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.