SCHEMBL2594789

SCHEMBL2594789

Cc1cc(-c2ccncc2)c(CNC(=O)c2cc(Br)cc3c2ccn3C(C)C)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 17/20 0.56
BRD4 O60885 4/20 0.52
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
EZH1 Q92800 1/20 0.46
EED O75530 3/20 0.43
RBBP4 Q09028 3/20 0.43
SUZ12 Q15022 3/20 0.43
AEBP2 Q6ZN18 3/20 0.43

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
SCHEMBL17956123 0.93 EZH2 (0.50) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2593985 0.91 EZH2 (0.61) EZH2BRD4BRD2BRD3BRDT
SCHEMBL14716878 0.87 EZH2 (0.70) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL2588268 0.86 EZH2 (0.75) EZH2BRD4BRD2BRD3BRDT
SCHEMBL31158046 0.86 EZH2 (0.75) EZH2BRD4BRD2BRD3BRDT
SCHEMBL17956122 0.85 EZH2 (0.43) EZH2BRD4BRD2BRD3BRDT
SCHEMBL12180271 0.84 EZH2 (0.63) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2592955 0.84 EZH2 (0.62) EZH2BRD4BRD2BRD3BRDT
SCHEMBL16726588 0.83 EZH2 (0.40) EZH2BRD4BRD2BRD3BRDT
SCHEMBL2594710 0.82 EZH2 (0.59) EZH2BRD4BRD2BRD3BRDT

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP claimed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US claimed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US claimed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US claimed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US claimed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO 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 (4 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-20150313887-A1 INDOLES IDO1, IDO2, INMT EZH2 257/4885BRD4 190/4885BRD2 653/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT EZH2 257/4885BRD4 190/4885BRD2 653/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT EZH2 239/4885BRD4 177/4885BRD2 618/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT EZH2 257/4885BRD4 190/4885BRD2 653/4885

“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.