SCHEMBL17867504

SCHEMBL17867504

COc1cccc(Nc2nc3ccc(-c4c(C)noc4C)cc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.53
BRD2 P25440 6/20 0.53
BRD3 Q15059 5/20 0.53
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CREBBP Q92793 2/20 0.45
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ABL1 P00519 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
SRC P12931 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
SCHEMBL17867506 0.86 CYP3A4 (0.56) BRD4BRD2BRD3MEN1KMT2A
SCHEMBL1663437 0.76 MEN1 (0.57) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL17698767 0.73 BRD4 (0.49) BRD4BRD2BRD3LMNANCOA3
SCHEMBL20004259 0.73 BRD4 (0.62) BRD4BRD2MEN1MAPTKMT2A
SCHEMBL17867505 0.72 BRD4 (0.56) BRD4BRD2BRD3LMNANCOA3
SCHEMBL17802063 0.71 BRD4 (0.52) BRD4BRD2BRD3MEN1MAPT
SCHEMBL19715885 0.71 BRD4 (0.52) BRD4BRD2BRD3MEN1MAPT
SCHEMBL19578449 0.69 IDH1 (0.50) BRD4LMNACREBBPUSP2ALDH1A1
SCHEMBL1663431 0.69 MEN1 (0.57) MEN1MAPTKMT2A
SCHEMBL19578441 0.67 IDH1 (0.52) BRD4LMNACREBBPUSP2ALDH1A1

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 2 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-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 1/4885BRD2 3/4885BRD3 2/4885

“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.