SCHEMBL4289089

SCHEMBL4289089

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c(OCCOCCO)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.65
PIK3CG P48736 16/20 0.64
MAPT P10636 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47

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
SCHEMBL2723304 0.93 PIK3CD (0.68) PIK3CDPIK3CGMAPT
SCHEMBL4288631 0.92 PIK3CG (0.59) PIK3CDPIK3CGMAPT
SCHEMBL4291785 0.90 PIK3CD (0.64) PIK3CDPIK3CGMAPTSLC40A1
SCHEMBL4302115 0.90 PIK3CD (0.70) PIK3CDPIK3CGMAPTSLC40A1
SCHEMBL2721975 0.90 PIK3CG (0.63) PIK3CDPIK3CGMAPT
SCHEMBL4287828 0.89 PIK3CD (0.62) PIK3CDPIK3CGMAPT
SCHEMBL10044550 0.88 PIK3CG (0.53) PIK3CDPIK3CGMAPT
SCHEMBL2722453 0.87 PIK3CG (0.63) PIK3CDPIK3CGMAPT
SCHEMBL15180098 0.86 PIK3CG (0.51) PIK3CDPIK3CGMAPT
SCHEMBL2722050 0.86 PIK3CG (0.55) PIK3CDPIK3CGMAPT

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-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-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-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
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-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
WO-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 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 PIK3CD 14/4885PIK3CG 8/4885MAPT 4120/4885
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 PIK3CD 2887/4885PIK3CG 2294/4885MAPT 4392/4885

“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.