SCHEMBL2851255

SCHEMBL2851255

N=C1NCC2(CCN(C(=O)c3ccncn3)CC2)N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.43
KCNH2 Q12809 6/20 0.43
NAMPT P43490 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
CYP2C9 P11712 3/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2844974 0.84 L3MBTL1 (0.58) CCR8KCNH2L3MBTL1CYP2C9USP2
SCHEMBL2849785 0.83 CYP3A4 (0.51) CYP2C9USP2HSD17B10CYP1A2CYP3A4
SCHEMBL2844955 0.79 CYP3A4 (0.33) L3MBTL1CYP2C9USP2HSD17B10CASP1
SCHEMBL2841817 0.79 NAMPT (0.38) NAMPTL3MBTL1CYP2C9USP2HSD17B10
SCHEMBL2847866 0.79 VNN1 (0.40) CYP2C9HSD17B10CYP3A4CYP2C19ALDH1A1
SCHEMBL2842376 0.76 CHRM2 (0.51) L3MBTL1CYP2C9CYP3A4CYP2C19ALDH1A1
SCHEMBL2846197 0.76 CRBN (0.52) CYP2C9USP2CYP1A2CYP3A4CYP2D6
SCHEMBL2840337 0.75 HTT (0.39) NAMPT
SCHEMBL2842730 0.75 SPR (0.56) KCNH2L3MBTL1CYP2C9HSD17B10CYP1A2
SCHEMBL2842491 0.74 GABRD (0.40) NAMPTCYP2C9HSD17B10CYP3A4CYP2C19

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344231-A1 STABILIZED GLUCAGON SOLUTIONS Latitude Pharmaceuticals, Inc. (US) 2018-07-11 EP disclosed
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
WO-2017040928-A1 STABILIZED GLUCAGON SOLUTIONS LATITUDE PHARMACEUTICALS, INC. (US) 2017-03-09 WO 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-2490708-A2 STABILIZED GLUCAGON SOLUTIONS Biodel, Inc. (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 CCR8 1001/4885KCNH2 31/4885NAMPT 4474/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CCR8 1671/4885KCNH2 99/4885NAMPT 2132/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G CCR8 3041/4885KCNH2 20/4885NAMPT 3224/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CCR8 1671/4885KCNH2 99/4885NAMPT 2132/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CCR8 1671/4885KCNH2 99/4885NAMPT 2132/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E CCR8 1001/4885KCNH2 31/4885NAMPT 4474/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CCR8 1671/4885KCNH2 99/4885NAMPT 2132/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G CCR8 3041/4885KCNH2 20/4885NAMPT 3224/4885

“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.