SCHEMBL4288277

SCHEMBL4288277

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccn(C)n2)c(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.57
MAPT P10636 3/20 0.54
PIK3CG P48736 11/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
POLB P06746 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
SCHEMBL4292331 0.90 PIK3CD (0.53) PIK3CDMAPTPIK3CGKMT2A
SCHEMBL2732860 0.89 PIK3CG (0.54) PIK3CDPIK3CG
SCHEMBL4290396 0.87 PIK3CD (0.50) PIK3CDMAPTPIK3CGKMT2A
SCHEMBL4297407 0.87 PIK3CD (0.50) PIK3CDMAPTPIK3CGKMT2A
SCHEMBL2722409 0.87 PIK3CG (0.50) PIK3CDMAPTPIK3CG
SCHEMBL4291444 0.84 PIK3CD (0.80) PIK3CDPIK3CG
SCHEMBL4294206 0.84 PIK3CG (0.54) PIK3CDMAPTPIK3CG
SCHEMBL2722772 0.83 PIK3CD (0.47) PIK3CDMAPTPIK3CGKMT2A
SCHEMBL4285883 0.82 PIK3CD (0.54) PIK3CDMAPTPIK3CGKMT2A
SCHEMBL2732907 0.80 PIK3CG (0.70) PIK3CDMAPTPIK3CG

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 8 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
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-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
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 (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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 PIK3CD 14/4885MAPT 4120/4885PIK3CG 8/4885

“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.