SCHEMBL17698807

SCHEMBL17698807

Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(NCc3cccnc3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.56
CYP3A4 P08684 5/20 0.54
CYP2C19 P33261 5/20 0.54
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP1A2 P05177 4/20 0.52
CYP2D6 P10635 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CLK4 Q9HAZ1 2/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
TRIM24 O15164 1/20 0.46
TAF1 P21675 1/20 0.46
BRD2 P25440 1/20 0.46
BRPF1 P55201 1/20 0.46
EP300 Q09472 1/20 0.46

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 0.92 BRD4 (0.50) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17867509 0.91 BRD4 (0.49) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17698816 0.89 BRD4 (0.60) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17698803 0.88 CYP3A4 (0.47) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17698846 0.86 BRD4 (0.45) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17698643 0.85 BRD4 (0.51) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL20362755 0.80 BRD4 (0.52) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17698642 0.80 BRD4 (0.53) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL16225395 0.79 BRD4 (0.51) BRD4CYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL17698645 0.78 BRD4 (0.61) BRD4TRIM24TAF1BRD2BRPF1

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 3876/4885CYP2C19 4284/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885CYP3A4 4167/4885CYP2C19 4466/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885CYP3A4 4167/4885CYP2C19 4466/4885

“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.