SCHEMBL2847102

SCHEMBL2847102

CC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CNC(=N)N3)c1)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2C19 P33261 3/20 0.38
PKM P14618 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL17574076 0.80 NAMPT (0.35) NPC1CYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL2844293 0.79 ALDH1A1 (0.41) CYP2C9CYP3A4ALDH1A1CYP2C19PKM
SCHEMBL2848933 0.78 ALDH1A1 (0.50) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL2847272 0.78 ALDH1A1 (0.46) CYP3A4CYP2D6ALDH1A1TSHRPKM
SCHEMBL2849895 0.77 PKM (0.53) ALDH1A1PKMRAB9AKMT2ANAMPT
SCHEMBL2842030 0.77 ALDH1A1 (0.47) ALDH1A1KMT2A
SCHEMBL2844715 0.76 RAB9A (0.45) NPC1ALDH1A1PKMRAB9AKMT2A
SCHEMBL2849785 0.76 CYP3A4 (0.51) CYP2C9CYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL2842296 0.76 RAB9A (0.44) NPC1ALDH1A1TSHRPKMRAB9A
SCHEMBL2839549 0.75 TSHR (0.44) CYP3A4ALDH1A1TSHRPKMUSP2

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 16 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-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 (7 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 NPC1 512/4885CYP2C9 335/4885CYP3A4 988/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NPC1 56/4885CYP2C9 1423/4885CYP3A4 2203/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NPC1 941/4885CYP2C9 2108/4885CYP3A4 3246/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NPC1 56/4885CYP2C9 1423/4885CYP3A4 2203/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E NPC1 512/4885CYP2C9 335/4885CYP3A4 988/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NPC1 56/4885CYP2C9 1423/4885CYP3A4 2203/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NPC1 941/4885CYP2C9 2108/4885CYP3A4 3246/4885

“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.