SCHEMBL783157

SCHEMBL783157

CC(C)(C)OC(=O)COc1ccc(CCC(=O)N2CCC3(CC2)CNC(=NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 11/20 0.35
ENPP2 Q13822 2/20 0.34
ATXN2 Q99700 2/20 0.34
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL783155 1.00 SCNN1A (0.35) SCNN1AENPP2ATXN2GHSRALDH1A1
SCHEMBL782922 0.97 SCNN1A (0.34) SCNN1AENPP2ATXN2GHSRALDH1A1
SCHEMBL782920 0.97 SCNN1A (0.34) SCNN1AENPP2ATXN2GHSRALDH1A1
SCHEMBL2127750 0.92 SCNN1A (0.38) SCNN1AGHSRALDH1A1MEN1KMT2A
SCHEMBL2127759 0.92 SCNN1A (0.38) SCNN1AGHSRALDH1A1MEN1KMT2A
SCHEMBL781270 0.91 USP2 (0.31) ENPP2ATXN2ALDH1A1
SCHEMBL781272 0.91 USP2 (0.31) ENPP2ATXN2ALDH1A1
SCHEMBL1684644 0.90 SCNN1A (0.40) SCNN1AENPP2ATXN2GHSRALDH1A1
SCHEMBL781520 0.90 SCNN1A (0.45) SCNN1AENPP2ATXN2GHSRALDH1A1
SCHEMBL781518 0.90 SCNN1A (0.45) SCNN1AENPP2ATXN2GHSRALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US 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
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

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 SCNN1A 6/4885ENPP2 2181/4885ATXN2 1781/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885ENPP2 2181/4885ATXN2 1781/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885ENPP2 2181/4885ATXN2 1781/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885ENPP2 2181/4885ATXN2 1781/4885

“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.