SCHEMBL2844089

SCHEMBL2844089

N=C1NCC2(CCN(C(=O)c3ccnc4[nH]ccc34)CC2)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.46
NAMPT P43490 1/20 0.45
MGLL Q99685 1/20 0.43
NUDT1 P36639 2/20 0.40
JAK1 P23458 4/20 0.38
PREP P48147 1/20 0.37
JAK3 P52333 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KIT P10721 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PBK Q96KB5 1/20 0.35
AKT2 P31751 2/20 0.35
AKT1 P31749 1/20 0.35
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
METTL3 Q86U44 1/20 0.33

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
SCHEMBL13640077 0.87 HCRTR2 (0.46) HCRTR2NAMPTMGLLNUDT1JAK1
SCHEMBL2847550 0.81 MAPK14 (0.51) HCRTR2MGLL
SCHEMBL2845998 0.77 GPR183 (0.46) NAMPTJAK1
SCHEMBL2847772 0.76 SCN5A (0.48) HCRTR2ALDH1A1
SCHEMBL2840337 0.76 HTT (0.39) NAMPT
SCHEMBL12605425 0.75 SMN1; SMN2 (0.52) HCRTR2NAMPTMGLLNUDT1JAK1
SCHEMBL12301491 0.75 NAMPT (0.40) HCRTR2NAMPTMGLLNUDT1JAK1
SCHEMBL1684510 0.74 NAMPT (0.40) HCRTR2NAMPTMGLLNUDT1JAK1
SCHEMBL2849785 0.74 CYP3A4 (0.51) ALDH1A1
SCHEMBL2844974 0.72 L3MBTL1 (0.58) ALDH1A1

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 HCRTR2 1024/4885NAMPT 4474/4885MGLL 3729/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HCRTR2 2160/4885NAMPT 2132/4885MGLL 2842/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G HCRTR2 351/4885NAMPT 3224/4885MGLL 4708/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HCRTR2 2160/4885NAMPT 2132/4885MGLL 2842/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HCRTR2 2160/4885NAMPT 2132/4885MGLL 2842/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E HCRTR2 1024/4885NAMPT 4474/4885MGLL 3729/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HCRTR2 2160/4885NAMPT 2132/4885MGLL 2842/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G HCRTR2 351/4885NAMPT 3224/4885MGLL 4708/4885

“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.