SCHEMBL4291645

SCHEMBL4291645

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)C(F)F)c(OCCC(C)O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.49
MAPT P10636 2/20 0.44
PIK3CD O00329 3/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL2721509 0.90 PIK3CG (0.55) PIK3CGMAPTPIK3CDKMT2A
SCHEMBL4290119 0.90 PIK3CG (0.56) PIK3CGMAPT
SCHEMBL4289834 0.84 MAPT (0.47) PIK3CGMAPTPIK3CD
SCHEMBL10044536 0.83 PIK3CD (0.67) PIK3CGPIK3CD
SCHEMBL4297407 0.83 PIK3CD (0.50) PIK3CGMAPTPIK3CDKMT2A
SCHEMBL4300059 0.83 PIK3CG (0.60) PIK3CGMAPTPIK3CDKMT2A
SCHEMBL2721027 0.83 MAPT (0.50) PIK3CGMAPTPIK3CDKMT2A
SCHEMBL18167150 0.83 TLR8 (0.39) PIK3CGMAPTPIK3CDKMT2A
SCHEMBL4283535 0.82 PIK3CD (0.47) PIK3CGMAPTPIK3CD
SCHEMBL18167149 0.81 PIK3CG (0.38) PIK3CGMAPTPIK3CDKMT2A

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 claimed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US claimed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US claimed
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 PIK3CG 8/4885MAPT 4120/4885PIK3CD 14/4885

“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.