SCHEMBL2301899

SCHEMBL2301899

COc1cc(Nc2nc3cc(Cl)ccc3nc2NS(=O)(=O)c2ccccc2)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.70
PIK3CA P42336 3/20 0.70
PIK3CG P48736 3/20 0.70
PIK3CB P42338 2/20 0.70
MAPT P10636 9/20 0.66
TP53 P04637 1/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MTOR P42345 1/20 0.54
PRKDC P78527 1/20 0.54
RPTOR Q8N122 1/20 0.54
MLST8 Q9BVC4 1/20 0.54
POLB P06746 1/20 0.54
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PIK3C2B O00750 1/20 0.51
PIK3C2G O75747 1/20 0.51
DUSP26 Q9BV47 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
SCHEMBL2355912 1.00 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL189609 0.90 PIK3CD (0.81) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL188557 0.90 PIK3CD (0.84) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL2303217 0.89 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL189335 0.87 PIK3CD (0.76) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL188977 0.84 PIK3CG (0.87) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL2301525 0.84 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL188780 0.84 PIK3CD (0.81) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL4562410 0.83 PIK3CD (0.83) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL2305856 0.82 PIK3CD (0.76) PIK3CDPIK3CAPIK3CGPIK3CBMAPT

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
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US claimed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US claimed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US claimed
JP-2009506015-A 2009-02-12 JP claimed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP claimed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO claimed
EP-2365810-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-09-21 EP disclosed
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP disclosed
WO-2010065923-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-06-10 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-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 PIK3CD 74/4885PIK3CA 70/4885PIK3CG 110/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885PIK3CA 3/4885PIK3CG 4/4885

“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.