SCHEMBL16045170

SCHEMBL16045170

CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(-c2cn(C)c3c(=O)[nH]ccc23)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.84
BRDT Q58F21 2/20 0.70
BRD2 P25440 1/20 0.55
ADORA2B P29275 1/20 0.55
TSPO P30536 1/20 0.55
EP300 Q09472 1/20 0.55
BRD3 Q15059 1/20 0.55

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
SCHEMBL16047200 0.91 BRD4 (1.00) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL16047800 0.84 BRD4 (0.67) BRD4BRDTBRD2BRD3
SCHEMBL16046073 0.83 BRD4 (1.00) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL16048815 0.81 BRD4 (0.65) BRD4BRDT
SCHEMBL16046548 0.80 BRD4 (0.64) BRD4BRDTBRD2ADORA2BTSPO
SCHEMBL16047428 0.80 BRD4 (0.79) BRD4
SCHEMBL16045679 0.80 BRD4 (0.69) BRD4
SCHEMBL16044764 0.79 BRD4 (0.66) BRD4
SCHEMBL16045881 0.79 BRD4 (0.66) BRD4
SCHEMBL16044762 0.79 BRD4 (0.66) 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 10 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
CN-105164130-A Dihydro-pyrrolopyridone bromodomain inhibitors ABBVIE INC 2015-12-16 CN 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 676/4885BRDT 1656/4885BRD2 2475/4885
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR BRD4 676/4885BRDT 1656/4885BRD2 2475/4885

“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.