SCHEMBL781952

SCHEMBL781952

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 4/20 0.35
ATM Q13315 1/20 0.35
PKLR P30613 1/20 0.34
CYP2C19 P33261 1/20 0.33
MEP1B Q16820 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
AKR1C3 P42330 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLAU P00749 2/20 0.32

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
SCHEMBL781954 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL12238818 0.91 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL781526 0.90 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL781524 0.90 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL10189538 0.90 PKM (0.37) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL781732 0.89 PKM (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL781730 0.89 PKM (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
Succinic Acid SCHEMBL781781 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
Succinic Acid SCHEMBL781782 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL2125195 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1SMN1; SMN2PKM

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
EP-2828261-A1 CRYSTALLINE FORM OF A SUCCINATE SALT Novartis AG (CH) 2015-01-28 EP claimed
WO-2013140319-A9 CRYSTALLINE FORM OF A SUCCINATE SALT NOVARTIS AG (CH) 2014-01-03 WO claimed
WO-2013140319-A1 CRYSTALLINE FORM OF A SUCCINATE SALT NOVARTIS AG (CH) 2013-09-26 WO claimed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP claimed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO claimed
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
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
EP-3131582-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2017-02-22 EP disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
EP-2828261-B1 Crystalline form of a succinate salt NOVARTIS AG (CH) 2016-02-03 EP 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
EP-2828261-A1 CRYSTALLINE FORM OF A SUCCINATE SALT Novartis AG (CH) 2015-01-28 EP disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
WO-2013140319-A9 CRYSTALLINE FORM OF A SUCCINATE SALT NOVARTIS AG (CH) 2014-01-03 WO disclosed
WO-2013140319-A1 CRYSTALLINE FORM OF A SUCCINATE SALT NOVARTIS AG (CH) 2013-09-26 WO 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 (5 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-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885LMNA 2950/4885MAPK1 2369/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885LMNA 2950/4885MAPK1 2369/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885LMNA 2950/4885MAPK1 2369/4885
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ALDH1A1 2648/4885LMNA 3070/4885MAPK1 4396/4885

“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.