SCHEMBL2841817

SCHEMBL2841817

N=C1NCC2(CCN(C(=O)c3cocn3)CC2)N1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
RIPK1 Q13546 1/20 0.35
CYP3A4 P08684 7/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP2D6 P10635 5/20 0.33
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 4/20 0.32
USP2 O75604 3/20 0.32
CYP2C19 P33261 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C9 P11712 3/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 2/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL2844955 0.80 CYP3A4 (0.33) CYP3A4HSD17B10CYP2D6L3MBTL1ALDH1A1
SCHEMBL2844974 0.80 L3MBTL1 (0.58) CYP3A4HSD17B10CYP2D6L3MBTL1ALDH1A1
SCHEMBL2851255 0.79 CCR8 (0.43) NAMPTCYP3A4HSD17B10CYP2D6L3MBTL1
SCHEMBL2850375 0.77 CHRNA4 (0.45) NAMPTRIPK1CYP3A4HSD17B10CYP2D6
SCHEMBL2849785 0.76 CYP3A4 (0.51) CYP3A4HSD17B10CYP2D6ALDH1A1CYP1A2
SCHEMBL2840337 0.76 HTT (0.39) NAMPTSMN1; SMN2KMT2A
SCHEMBL2847780 0.74 RBP4 (0.55) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL2846197 0.74 CRBN (0.52) CYP3A4CYP2D6ALDH1A1CYP1A2USP2
SCHEMBL2842730 0.73 SPR (0.56) CYP3A4HSD17B10CYP2D6L3MBTL1ALDH1A1
SCHEMBL2842491 0.73 GABRD (0.40) NAMPTCYP3A4HSD17B10ALDH1A1CYP2C19

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 14 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-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 NAMPT 4474/4885RIPK1 2074/4885CYP3A4 988/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NAMPT 2132/4885RIPK1 4657/4885CYP3A4 2203/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NAMPT 3224/4885RIPK1 2092/4885CYP3A4 3246/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NAMPT 2132/4885RIPK1 4657/4885CYP3A4 2203/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E NAMPT 4474/4885RIPK1 2074/4885CYP3A4 988/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NAMPT 2132/4885RIPK1 4657/4885CYP3A4 2203/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NAMPT 3224/4885RIPK1 2092/4885CYP3A4 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.