SCHEMBL3584606

SCHEMBL3584606

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 1.00
PIK3CD O00329 2/20 0.54
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51

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
SCHEMBL3582496 0.91 PIK3CG (1.00) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2300434 0.86 PIK3CG (0.76) PIK3CGPIK3CDALDH1A1SMN1; SMN2PIK3CA
SCHEMBL2302622 0.86 PIK3CG (0.75) PIK3CGPIK3CDALDH1A1SMN1; SMN2PIK3CA
SCHEMBL3576427 0.86 PIK3CG (1.00) PIK3CGPIK3CDALDH1A1SMN1; SMN2PIK3CA
SCHEMBL2304567 0.83 PIK3CG (0.71) PIK3CGPIK3CDALDH1A1PIK3CAPIK3CB
SCHEMBL188616 0.83 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL21313697 0.82 PIK3CG (0.80) PIK3CGPIK3CD
SCHEMBL2306904 0.77 PIK3CG (0.75) PIK3CGPIK3CDALDH1A1SMN1; SMN2PIK3CA
SCHEMBL2306857 0.77 PIK3CG (0.75) PIK3CGPIK3CDALDH1A1SMN1; SMN2PIK3CA
Potassium SCHEMBL2363936 0.77 PIK3CG (0.74) PIK3CGPIK3CDALDH1A1SMN1; SMN2PIK3CA

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 10 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 claimed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US claimed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US claimed
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
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 PIK3CG 595/4885PIK3CD 703/4885ALDH1A1 577/4885

“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.