SCHEMBL2730489

SCHEMBL2730489

COc1cc(C)c(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.69
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PIK3CD O00329 3/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
MTOR P42345 1/20 0.54
PRKDC P78527 1/20 0.54
RPTOR Q8N122 1/20 0.54
MLST8 Q9BVC4 1/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4295934 0.92 PIK3CG (0.70) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL4287659 0.90 PIK3CG (0.73) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL2720994 0.85 PIK3CG (0.69) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL2304540 0.85 PIK3CG (0.72) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL2725732 0.84 PIK3CG (0.69) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL4295751 0.84 PIK3CG (0.62) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL2722047 0.83 PIK3CG (0.69) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL2722216 0.83 PIK3CG (0.66) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL4292024 0.83 PIK3CG (0.66) PIK3CGMEN1KMT2APIK3CDPIK3CA
SCHEMBL3577612 0.82 PIK3CG (1.00) PIK3CG

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
EP-2630129-B1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2016-10-26 EP claimed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US claimed
EP-2630129-A1 QUINOXALINE DERIVATES Merck Patent GmbH (DE) 2013-08-28 EP claimed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US claimed
WO-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2012-04-26 WO claimed
EP-2630129-B1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
EP-2630129-B1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 US disclosed
WO-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 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 (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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 PIK3CG 8/4885MEN1 870/4885KMT2A 1939/4885
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides STS, NQO2, ASNS PIK3CG 2294/4885MEN1 1802/4885KMT2A 802/4885

“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.