SCHEMBL16045482

SCHEMBL16045482

CCS(=O)(=O)Nc1ccc(OCC2CC2)c(-c2cn(C)c3c(=O)[nH]ccc23)c1C

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.79
TRIM24 O15164 1/20 0.44
BRD1 O95696 1/20 0.44
TAF1 P21675 1/20 0.44
BRD2 P25440 1/20 0.44
BRPF1 P55201 1/20 0.44
EP300 Q09472 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
PBRM1 Q86U86 1/20 0.44
TAF1L Q8IZX4 1/20 0.44
CREBBP Q92793 1/20 0.44
CECR2 Q9BXF3 1/20 0.44
BRD8 Q9H0E9 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44

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
SCHEMBL15069572 0.88 BRD4 (1.00) BRD4
SCHEMBL16046652 0.82 BRD4 (0.62) BRD4
SCHEMBL15069682 0.80 BRD4 (1.00) BRD4
SCHEMBL16045727 0.79 BRD4 (0.75) BRD4
SCHEMBL16046578 0.78 BRD4 (0.57) BRD4
SCHEMBL20135831 0.76 BRD4 (0.61) BRD4CREBBP
Ethoxycarbonyl Group SCHEMBL28044071 0.75 BRD4 (0.47) BRD4
SCHEMBL16045885 0.75 BRD4 (0.76) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL15541039 0.73 BRD4 (0.56) BRD4EP300
SCHEMBL16045116 0.73 BRD4 (0.46) BRD4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US claimed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US claimed
EP-2970276-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP claimed
CN-105164130-A Dihydro-pyrrolopyridone bromodomain inhibitors ABBVIE INC 2015-12-16 CN claimed
WO-2014165143-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO claimed
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC. 2014-09-18 US claimed
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US disclosed
EP-2970276-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105164130-A Dihydro-pyrrolopyridone bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed
WO-2014165143-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC. 2014-09-18 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 (2 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-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR BRD4 676/4885TRIM24 3092/4885BRD1 1697/4885
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR BRD4 676/4885TRIM24 3092/4885BRD1 1697/4885

“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.