SCHEMBL781955

SCHEMBL781955

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCC(=O)OCC(=O)N5CCCC5C(F)(F)F)c4)CC3)N2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.36
APEX1 P27695 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.31
ATXN2 Q99700 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL29798955 1.00 DDR1 (0.36) DDR1APEX1LMNAALDH1A1MAPK1
SCHEMBL781957 1.00 DDR1 (0.36) DDR1APEX1LMNAALDH1A1MAPK1
SCHEMBL801411 0.92 DDR1 (0.37) DDR1LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL29798823 0.91 DDR1 (0.35) DDR1ENPP2ATXN2
SCHEMBL782106 0.91 DDR1 (0.35) DDR1ENPP2ATXN2
SCHEMBL782104 0.91 DDR1 (0.35) DDR1ENPP2ATXN2
SCHEMBL14692958 0.91 DDR1 (0.37) DDR1ENPP2ATXN2
SCHEMBL17239797 0.87 ALDH1A1 (0.35) APEX1LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL782635 0.87 ALDH1A1 (0.35) APEX1LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL798401 0.86 DDR1 (0.36) DDR1APEX1LMNAALDH1A1MAPK1

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 42 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-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 EP 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-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-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
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 (6 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 DDR1 925/4885APEX1 4389/4885LMNA 3070/4885
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 DDR1 925/4885APEX1 4389/4885LMNA 3070/4885
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A DDR1 873/4885APEX1 3774/4885LMNA 2950/4885
US-20190125674-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 DDR1 925/4885APEX1 4389/4885LMNA 3070/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A DDR1 873/4885APEX1 3774/4885LMNA 2950/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 DDR1 925/4885APEX1 4389/4885LMNA 3070/4885

“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.