SCHEMBL2307271

SCHEMBL2307271

COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.85
MAPT P10636 7/20 0.85
MEN1 O00255 7/20 0.72
KDM4E B2RXH2 6/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
HTT P42858 3/20 0.72
ALDH1A1 P00352 4/20 0.71
NOD2 Q9HC29 2/20 0.71
TNF P01375 1/20 0.71
LMNA P02545 1/20 0.71
NOD1 Q9Y239 1/20 0.71
PIK3CD O00329 5/20 0.65
HSD17B10 Q99714 3/20 0.57
MAPK1 P28482 2/20 0.57
USP2 O75604 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
BRCA1 P38398 1/20 0.56
CASP7 P55210 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
SCHEMBL189431 0.84 PIK3CD (0.77) KMT2AMAPTMEN1ALDH1A1PIK3CD
SCHEMBL188285 0.84 PIK3CD (0.81) KMT2AMAPTMEN1ALDH1A1PIK3CD
SCHEMBL27748988 0.83 PIK3CD (0.62) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL2305650 0.83 PIK3CD (0.62) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL188653 0.83 KMT2A (0.84) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL2300318 0.83 PIK3CD (0.69) KMT2AMAPTMEN1ALDH1A1PIK3CD
SCHEMBL2300757 0.82 PIK3CG (0.72) KMT2AMAPTPIK3CD
SCHEMBL2303258 0.82 PIK3CD (0.80) KMT2AMAPTMEN1ALDH1A1PIK3CD
SCHEMBL2723028 0.82 KMT2A (0.69) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL2300703 0.82 PIK3CD (0.60) KMT2AMAPTMEN1KDM4ESMN1; SMN2

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 27 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
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 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
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
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 KMT2A 3815/4885MAPT 2973/4885MEN1 1772/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA KMT2A 4603/4885MAPT 3146/4885MEN1 3412/4885

“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.