SCHEMBL2126441

SCHEMBL2126441

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCc5c[nH]c6ccccc56)c4)CC3)N2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
CYP19A1 P11511 1/20 0.39
TP53 P04637 1/20 0.39
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
TACR1 P25103 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL1586864 0.94 MEN1 (0.38) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14553775 0.92 CYP19A1 (0.38) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL19392680 0.90 TP53 (0.41) MAPTTP53HTR1AHTR1BHTR2A
SCHEMBL17574088 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL12215904 0.88 MAPT (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL19392662 0.88 TP53 (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL781952 0.86 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2MAPK1KDM4E
SCHEMBL781954 0.86 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2MAPK1KDM4E
SCHEMBL12238818 0.85 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL10189538 0.84 PKM (0.37) ALDH1A1LMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20130012500-A1 ORGANIC COMPOUNDS BHALAY GURDIP (GB) 2013-01-10 US disclosed
EP-2520574-A1 Amiloride analogues substituted on the cyclic guanidine moiety as ENaC blockers for treating respiratory diseases Novartis AG (CH) 2012-11-07 EP disclosed
EP-2444120-A1 Spirocyclic amiloride analogues as ENac blockers Novartis AG (CH) 2012-04-25 EP disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (8 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-20130012500-A1 ORGANIC COMPOUNDS OR10J3, REN, CACNA1E MEN1 854/4885KMT2A 4325/4885ALDH1A1 1317/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 MEN1 3122/4885KMT2A 4359/4885ALDH1A1 2535/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MEN1 3122/4885KMT2A 4359/4885ALDH1A1 2535/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G MEN1 759/4885KMT2A 2584/4885ALDH1A1 2199/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G MEN1 759/4885KMT2A 2584/4885ALDH1A1 2199/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MEN1 3122/4885KMT2A 4359/4885ALDH1A1 2535/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E MEN1 854/4885KMT2A 4325/4885ALDH1A1 1317/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G MEN1 759/4885KMT2A 2584/4885ALDH1A1 2199/4885

“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.