SCHEMBL2845286

SCHEMBL2845286

N=C1NCC2(CCN(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 6/20 0.53
TNF P01375 4/20 0.53
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLK1 P53350 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
TPSAB1 Q15661 1/20 0.45
ALOX5 P09917 1/20 0.43
HTR6 P50406 5/20 0.43

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
SCHEMBL12301803 0.77 TNFSF11 (0.43) TNFSF11TNFLMNASMN1; SMN2PLK1
SCHEMBL1684546 0.77 TNFSF11 (0.42) TNFSF11TNFLMNASMN1; SMN2PLK1
SCHEMBL946508 0.76 TNFSF11 (0.67) TNFSF11TNFLMNASMN1; SMN2PLK1
SCHEMBL14553866 0.75 TNFSF11 (0.41) TNFSF11TNFLMNASMN1; SMN2PLK1
SCHEMBL2846197 0.74 CRBN (0.52) LMNA
SCHEMBL2846972 0.74 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2A
SCHEMBL6278833 0.73 TNFSF11 (0.63) TNFSF11TNFLMNASMN1; SMN2PLK1
SCHEMBL2847096 0.71 RBP4 (0.47) MEN1KMT2A
SCHEMBL948989 0.70 AKR1C3 (0.83) TNFSF11TNFLMNASMN1; SMN2PLK1
SCHEMBL2847772 0.69 SCN5A (0.48) LMNA

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 15 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
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-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 TNFSF11 4529/4885TNF 3329/4885LMNA 2001/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TNFSF11 4556/4885TNF 3431/4885LMNA 2078/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G TNFSF11 4737/4885TNF 3627/4885LMNA 1078/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TNFSF11 4556/4885TNF 3431/4885LMNA 2078/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TNFSF11 4556/4885TNF 3431/4885LMNA 2078/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E TNFSF11 4529/4885TNF 3329/4885LMNA 2001/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TNFSF11 4556/4885TNF 3431/4885LMNA 2078/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G TNFSF11 4737/4885TNF 3627/4885LMNA 1078/4885

“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.