SCHEMBL782923

SCHEMBL782923

CCCN(CCC)C(=O)COC(=O)C1(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CN/C(=N\C(=O)c3nc(Cl)c(N)nc3N)N4)c2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
PKLR P30613 2/20 0.30
HSD11B1 P28845 2/20 0.30

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
SCHEMBL782925 1.00 ENPP2 (0.34) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL29798797 1.00 ENPP2 (0.34) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL781745 0.90 ALDH1A1 (0.35) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL781747 0.90 ALDH1A1 (0.35) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL29798818 0.90 ALDH1A1 (0.35) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL29798819 0.90 ALDH1A1 (0.35) ENPP2ATXN2ALDH1A1LMNAMAPK1
Succinic Acid SCHEMBL781782 0.88 ALDH1A1 (0.36) ENPP2ATXN2ALDH1A1LMNAMAPK1
Succinic Acid SCHEMBL781781 0.88 ALDH1A1 (0.36) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL781683 0.87 ENPP2 (0.34) ENPP2ATXN2ALDH1A1LMNAMAPK1
SCHEMBL781681 0.87 ENPP2 (0.34) ENPP2ATXN2ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP claimed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US claimed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US claimed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO claimed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
EP-3925607-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2021-12-22 EP disclosed
US-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 US disclosed
EP-3424534-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2021-06-02 EP disclosed
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-20 US disclosed
US-20190125674-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-02 US disclosed
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-02-19 US disclosed
EP-3424534-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2019-01-09 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-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
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
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 (7 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-20210308053-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ENPP2 297/4885ATXN2 3658/4885ALDH1A1 2648/4885
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ENPP2 297/4885ATXN2 3658/4885ALDH1A1 2648/4885
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ENPP2 2181/4885ATXN2 1781/4885ALDH1A1 2428/4885
US-20190125674-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ENPP2 297/4885ATXN2 3658/4885ALDH1A1 2648/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ENPP2 2181/4885ATXN2 1781/4885ALDH1A1 2428/4885
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ENPP2 297/4885ATXN2 3658/4885ALDH1A1 2648/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ENPP2 297/4885ATXN2 3658/4885ALDH1A1 2648/4885

“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.