SCHEMBL17875712

SCHEMBL17875712

Cc1noc(C)c1-c1cc(-c2c(C)nn(C)c2C)c2nc(N3CCNCC3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.50
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TRIM24 O15164 1/20 0.40
TAF1 P21675 1/20 0.40
BRD2 P25440 1/20 0.40
BRPF1 P55201 1/20 0.40
EP300 Q09472 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
CREBBP Q92793 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD8 Q9H0E9 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17698720 0.92 BRD4 (0.52) BRD4TRIM24TAF1BRD2BRPF1
SCHEMBL17867508 0.92 BRD4 (0.52) BRD4TRIM24TAF1BRD2BRPF1
SCHEMBL17698686 0.91 BRD4 (0.51) BRD4CYP1A2ALDH1A1TRIM24TAF1
SCHEMBL17698758 0.91 BRD4 (0.50) BRD4TRIM24TAF1BRD2BRPF1
SCHEMBL17867518 0.83 BRD4 (0.65) BRD4TRIM24TAF1BRD2BRPF1
SCHEMBL17698770 0.82 BRD4 (0.60) BRD4CYP1A2ALDH1A1TRIM24TAF1
SCHEMBL17875706 0.81 BRD4 (0.54) BRD4TRIM24TAF1BRD2BRPF1
SCHEMBL17698644 0.80 BRD4 (0.60) BRD4CYP1A2TRIM24TAF1BRD2
SCHEMBL17698750 0.79 BRD4 (0.52) BRD4TRIM24TAF1BRD2BRPF1
SCHEMBL17875713 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885CYP1A2 4461/4885ALDH1A1 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.