SCHEMBL3576760

SCHEMBL3576760

NS(=O)(=O)c1cccc(NC(=O)COCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.65
CA1 P00915 11/20 0.61
CA2 P00918 11/20 0.61
CA12 O43570 5/20 0.59
CA9 Q16790 5/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 2/20 0.58
PTPRC P08575 1/20 0.58
PTPN1 P18031 1/20 0.58
PKM P14618 1/20 0.56

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
SCHEMBL3857194 0.86 MAPT (0.58) KMT2AL3MBTL1MAPTALDH1A1PTPRC
SCHEMBL13764399 0.83 CA1 (0.72) KMT2AL3MBTL1CA1CA2CA12
SCHEMBL14183612 0.82 MGLL (0.65) KMT2AL3MBTL1CA1CA2CA12
SCHEMBL839348 0.81 NAMPT (0.66) KMT2AMAPTALDH1A1PTPRCPTPN1
SCHEMBL7649333 0.79 PTPRC (0.60) KMT2AMAPTALDH1A1PTPRCPTPN1
SCHEMBL25547337 0.79 PTPRC (0.60) KMT2AMAPTALDH1A1PTPRCPTPN1
SCHEMBL418094 0.79 MEN1 (0.60) KMT2AL3MBTL1MAPTALDH1A1PTPRC
SCHEMBL13316189 0.79 MAPK1 (0.67) KMT2AMAPTALDH1A1PTPRCPTPN1
SCHEMBL25738387 0.78 CA1 (0.80) KMT2ACA1CA2CA12CA9
SCHEMBL2349758 0.78 NAMPT (0.70) KMT2AMAPTALDH1A1PTPRCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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 (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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 KMT2A 3444/4885L3MBTL1 2836/4885CA1 4483/4885

“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.