SCHEMBL2305041

SCHEMBL2305041

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.83
▸ TP53 P04637 1/20 0.74
▸ CDC25A P30304 1/20 0.72
▸ CDC25B P30305 1/20 0.72
▸ PIK3CD O00329 2/20 0.68
▸ PIK3CA P42336 1/20 0.68
▸ PIK3CB P42338 1/20 0.68
▸ PIK3CG P48736 1/20 0.68
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ ALDH1A1 P00352 3/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ TNF P01375 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ NOD2 Q9HC29 1/20 0.66
▸ NOD1 Q9Y239 1/20 0.66
▸ BACE1 P56817 1/20 0.58
▸ POLB P06746 2/20 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
SCHEMBL3132340 0.94 MAPT (0.87) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL2304000 0.92 MEN1 (0.77) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL189609 0.91 PIK3CD (0.81) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL189161 0.91 MEN1 (0.72) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL1792774 0.91 MAPT (1.00) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL2302958 0.90 PIK3CG (0.83) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL1793372 0.90 MAPT (0.78) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL1792019 0.89 PIK3CD (0.68) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL14050587 0.88 MAPT (0.69) MAPTTP53CDC25ACDC25BPIK3CD
SCHEMBL3151416 0.88 MAPT (0.76) MAPTTP53CDC25ACDC25BPIK3CD

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 26 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-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 — — 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 (3 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 MAPT 2973/4885TP53 201/4885CDC25A 579/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885TP53 395/4885CDC25A 562/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAPT 3146/4885TP53 395/4885CDC25A 562/4885

“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.

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