SCHEMBL801377

SCHEMBL801377

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)CCc4ccc(OCC(=O)OCC(=O)OC5CCCCC5)cc4)CC3)N2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 0.33
TPSG1 Q9NRR2 3/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
POLB P06746 1/20 0.33
SCNN1A P37088 5/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL782780 1.00 TPSAB1 (0.33) TPSAB1TPSD1TPSG1F2PLG
SCHEMBL782165 0.91 POLB (0.43) POLBSCNN1AALDH1A1
SCHEMBL782167 0.91 POLB (0.43) POLBSCNN1AALDH1A1
SCHEMBL806915 0.90 SCNN1A (0.40) POLBSCNN1AENPP2ATXN2ALDH1A1
SCHEMBL782920 0.88 SCNN1A (0.34) POLBSCNN1AENPP2ATXN2ALDH1A1
SCHEMBL782922 0.88 SCNN1A (0.34) POLBSCNN1AENPP2ATXN2ALDH1A1
SCHEMBL781833 0.88 PLAU (0.35) SCNN1A
SCHEMBL781835 0.88 PLAU (0.35) SCNN1A
SCHEMBL783212 0.87 FKBP1A (0.37) POLBSCNN1AALDH1A1KMT2A
SCHEMBL783210 0.87 FKBP1A (0.37) POLBSCNN1AALDH1A1KMT2A

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
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-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-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2015-11-12 US disclosed
WO-2015160787-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-10-22 WO 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
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

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

For each of this compound's patents that has machine-readable text (9 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 TPSAB1 1408/4885TPSD1 3147/4885TPSG1 2152/4885
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 TPSAB1 1408/4885TPSD1 3147/4885TPSG1 2152/4885
US-10980746-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 TPSAB1 1408/4885TPSD1 3147/4885TPSG1 2152/4885
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A TPSAB1 1998/4885TPSD1 1532/4885TPSG1 2790/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A TPSAB1 1998/4885TPSD1 1532/4885TPSG1 2790/4885
US-20190125674-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 TPSAB1 1408/4885TPSD1 3147/4885TPSG1 2152/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A TPSAB1 1998/4885TPSD1 1532/4885TPSG1 2790/4885
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 TPSAB1 1408/4885TPSD1 3147/4885TPSG1 2152/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 TPSAB1 1408/4885TPSD1 3147/4885TPSG1 2152/4885

“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.