SCHEMBL781932

SCHEMBL781932

CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.64
CYP2C19 P33261 1/20 0.62
AKR1C3 P42330 9/20 0.58
HTT P42858 1/20 0.55
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
F2 P00734 3/20 0.52
TMPRSS6 Q8IU80 2/20 0.52
ALDH1A1 P00352 1/20 0.51
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL782653 0.89 F2 (0.53) MEP1BCYP2C19AKR1C3HTTF2
SCHEMBL7690859 0.88 MEP1B (0.62) MEP1BCYP2C19AKR1C3HTTMAPK1
SCHEMBL7673440 0.85 MEP1B (0.60) MEP1BKMT2AF2TMPRSS6ALDH1A1
SCHEMBL7650172 0.84 PRMT1 (0.52) MEP1BCYP2C19AKR1C3KMT2AF2
SCHEMBL7402207 0.84 MEP1B (0.65) MEP1BCYP2C19AKR1C3HTTMAPK1
SCHEMBL7685704 0.80 CYP2C19 (0.44) MEP1BCYP2C19AKR1C3HTTTDP1
SCHEMBL13614830 0.79 CYP2C19 (0.76) MEP1BCYP2C19AKR1C3HTTMAPK1
SCHEMBL30866646 0.79 CYP2C19 (0.76) MEP1BCYP2C19AKR1C3HTTMAPK1
SCHEMBL27802295 0.78 CA1 (0.54) MEP1BCYP2C19AKR1C3KMT2AF2
SCHEMBL2281070 0.78 CYP2C19 (0.70) MEP1BCYP2C19AKR1C3HTTMAPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105440032-B Pyrazines derivatives as ENAC blocking agents 诺华股份有限公司 2017-12-08 CN disclosed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
CN-105440032-A PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG 2016-03-30 CN disclosed
CN-103249723-B Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2015-11-25 CN disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
CN-103249723-A Pyrazine derivatives as enac blockers NOVARTIS AG 2013-08-14 CN disclosed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A MEP1B 519/4885CYP2C19 1366/4885AKR1C3 649/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A MEP1B 519/4885CYP2C19 1366/4885AKR1C3 649/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A MEP1B 519/4885CYP2C19 1366/4885AKR1C3 649/4885

“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.