SCHEMBL781968

SCHEMBL781968

Nc1nc(N)c(C(=O)N=C2NCC3(CCN(C(=O)CCc4ccc(OCC(=O)O)c(Cl)c4)CC3)N2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 2/20 0.35
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ENPP2 Q13822 3/20 0.33
ATXN2 Q99700 2/20 0.33
OPRD1 P41143 1/20 0.33
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FFAR1 O14842 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL781966 1.00 SCNN1A (0.35) SCNN1ATSHRMAPTUSP2ALDH1A1
SCHEMBL781270 0.91 USP2 (0.31) TSHRMAPTUSP2ALDH1A1ENPP2
SCHEMBL781272 0.91 USP2 (0.31) TSHRMAPTUSP2ALDH1A1ENPP2
SCHEMBL781520 0.90 SCNN1A (0.45) SCNN1AALDH1A1ENPP2ATXN2ITGB3
SCHEMBL781518 0.90 SCNN1A (0.45) SCNN1AALDH1A1ENPP2ATXN2ITGB3
SCHEMBL1684511 0.87 SCNN1A (0.35) SCNN1AALDH1A1ENPP2ATXN2ITGB3
SCHEMBL1684500 0.87 SCNN1A (0.35) SCNN1AALDH1A1ENPP2ATXN2ITGB3
SCHEMBL782804 0.87 OPRD1 (0.32) TSHRALDH1A1OPRD1
SCHEMBL782806 0.87 OPRD1 (0.32) TSHRALDH1A1OPRD1
SCHEMBL16488464 0.86 OPRD1 (0.32) ALDH1A1OPRD1

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
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 (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 6/4885TSHR 415/4885MAPT 3879/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885TSHR 415/4885MAPT 3879/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885TSHR 415/4885MAPT 3879/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885TSHR 415/4885MAPT 3879/4885

“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.