SCHEMBL2301966

SCHEMBL2301966

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.72
PIK3CA P42336 3/20 0.72
PIK3CB P42338 2/20 0.72
PIK3CG P48736 2/20 0.72
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
MAPT P10636 7/20 0.60
MTOR P42345 1/20 0.58
PRKDC P78527 1/20 0.58
RPTOR Q8N122 1/20 0.58
MLST8 Q9BVC4 1/20 0.58
PIK3C2B O00750 1/20 0.58
PIK3C2G O75747 1/20 0.58
KDM4E B2RXH2 2/20 0.56
TNF P01375 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL15095961 0.91 MAPT (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL2305856 0.91 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL188712 0.90 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL188557 0.90 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL189192 0.89 PIK3CG (0.72) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL2303217 0.89 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL189089 0.89 PIK3CD (0.83) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL12373069 0.88 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL190141 0.88 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL189047 0.88 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGMEN1

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 31 patents — showing the first 20. 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
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP 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
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO 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
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 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 70/4885PIK3CB 69/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885PIK3CA 3/4885PIK3CB 5/4885

“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.