SCHEMBL2850772

SCHEMBL2850772

N=C1NCC2(CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC6 Q9UBN7 1/20 0.53
NPBWR1 P48145 1/20 0.50
SCD O00767 1/20 0.48
NT5E P21589 1/20 0.48
TP53 P04637 2/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.45

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
SCHEMBL2846972 0.78 ALDH1A1 (0.51) KMT2ASMN1; SMN2MEN1USP2TSHR
SCHEMBL1586651 0.77 MAPT (0.48) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL13640120 0.75 MAPT (0.45) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL12301497 0.75 MAPT (0.46) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL12010945 0.72 MAPT (0.59) MAPTKMT2ASMN1; SMN2LMNAMEN1
Ensulizole SCHEMBL38724 0.71 HDAC6 (1.00) MAPTKMT2ASMN1; SMN2MEN1GAA
Ensulizole SCHEMBL7751558 0.71 HDAC6 (1.00) MAPTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL2839555 0.70 PKM (0.52) MAPTLMNATP53POLB
Ensulizole SCHEMBL1276071 0.70 HDAC6 (0.97) MAPTKMT2ASMN1; SMN2MEN1GAA
Ensulizole SCHEMBL17351654 0.70 HDAC6 (0.97) MAPTKMT2ASMN1; SMN2MEN1GAA

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 17 patents. 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-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 EP 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-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 US disclosed
US-8697687-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2014-04-15 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-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (US) 2012-08-29 EP disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP 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 MAPT 2151/4885KMT2A 4325/4885SMN1; SMN2 1712/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885KMT2A 4359/4885SMN1; SMN2 3332/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G MAPT 3437/4885KMT2A 2584/4885SMN1; SMN2 812/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885KMT2A 4359/4885SMN1; SMN2 3332/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885KMT2A 4359/4885SMN1; SMN2 3332/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E MAPT 2151/4885KMT2A 4325/4885SMN1; SMN2 1712/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885KMT2A 4359/4885SMN1; SMN2 3332/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G MAPT 3437/4885KMT2A 2584/4885SMN1; SMN2 812/4885

“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.