SCHEMBL2846972

SCHEMBL2846972

N=C1NCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP2D6 P10635 5/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 9/20 0.49
USP2 O75604 7/20 0.49
CYP2C9 P11712 6/20 0.49
CYP1A2 P05177 5/20 0.49
CYP2C19 P33261 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
NEK2 P51955 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL13640109 0.83 ALDH1A1 (0.51) ALDH1A1CYP2D6KMT2AMAPK1MEN1
SCHEMBL2846125 0.80 TSHR (0.51) ALDH1A1KMT2APOLBTSHRCYP2C19
SCHEMBL2846842 0.78 LMNA (0.51) CYP2D6KMT2ATSHRHPGDNEK2
SCHEMBL2850772 0.78 MAPT (0.57) CYP2D6KMT2AMEN1POLBTSHR
SCHEMBL2839555 0.75 PKM (0.52) POLB
SCHEMBL2845734 0.74 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL2851908 0.73 SMN1; SMN2 (0.36) ALDH1A1CYP2D6KMT2AMAPK1MEN1
SCHEMBL2846198 0.72 SMN1; SMN2 (0.43) KMT2AL3MBTL1POLBTSHRUSP2
SCHEMBL3830424 0.71 POLB (0.80) ALDH1A1CYP2D6POLBTSHRCYP2C9
SCHEMBL735657 0.71 POLB (0.80) ALDH1A1CYP2D6POLBTSHRCYP2C9

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 ALDH1A1 1317/4885CYP2D6 1217/4885KMT2A 4325/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885CYP2D6 1663/4885KMT2A 4359/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ALDH1A1 2199/4885CYP2D6 2690/4885KMT2A 2584/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885CYP2D6 1663/4885KMT2A 4359/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885CYP2D6 1663/4885KMT2A 4359/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E ALDH1A1 1317/4885CYP2D6 1217/4885KMT2A 4325/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885CYP2D6 1663/4885KMT2A 4359/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ALDH1A1 2199/4885CYP2D6 2690/4885KMT2A 2584/4885

“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.