SCHEMBL781868

SCHEMBL781868

CC(C)(C)OC(=O)C1(CNS(=O)(=O)c2cccc(C(=O)O)c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 9/20 0.48
MEP1B Q16820 2/20 0.47
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL781871 0.91 F2 (0.42) AKR1C3KMT2ACA1CA2F2
SCHEMBL7690859 0.77 MEP1B (0.62) CYP2C19AKR1C3MEP1BMAPK1KMT2A
SCHEMBL781932 0.75 MEP1B (0.64) CYP2C19AKR1C3MEP1BMAPK1KMT2A
SCHEMBL27802295 0.73 CA1 (0.54) CYP2C19AKR1C3MEP1BKMT2ACA1
SCHEMBL13614936 0.71 CYP2C19 (0.70) CYP2C19AKR1C3MEP1BMAPK1KMT2A
SCHEMBL26144913 0.70 CA1 (0.54) CYP2C19AKR1C3MEP1BKMT2ACA1
SCHEMBL781869 0.70 MMP13 (0.43) CYP2C19AKR1C3KMT2ACA1CA2
SCHEMBL8901280 0.69 TGFBR1 (0.64)
SCHEMBL30866646 0.69 CYP2C19 (0.76) CYP2C19AKR1C3MEP1BMAPK1KMT2A
SCHEMBL13614830 0.69 CYP2C19 (0.76) CYP2C19AKR1C3MEP1BMAPK1KMT2A

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 23 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-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
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 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
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CYP2C19 1366/4885AKR1C3 649/4885MEP1B 519/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CYP2C19 1366/4885AKR1C3 649/4885MEP1B 519/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CYP2C19 1366/4885AKR1C3 649/4885MEP1B 519/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A CYP2C19 1366/4885AKR1C3 649/4885MEP1B 519/4885

“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.