SCHEMBL1684576

SCHEMBL1684576

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.36
KCNH2 Q12809 6/20 0.36
NAMPT P43490 2/20 0.35
HSD17B10 Q99714 4/20 0.33
CYP1A2 P05177 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
PLAU P00749 2/20 0.33
SLC22A1 O15245 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
SLC9A1 P19634 1/20 0.33
MAOA P21397 1/20 0.33
ADORA2A P29274 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12239196 0.90 CCR8 (0.36) CCR8KCNH2NAMPTHSD17B10CYP1A2
SCHEMBL1684540 0.89 L3MBTL1 (0.41) CCR8KCNH2NAMPTHSD17B10CYP1A2
SCHEMBL1684651 0.88 CYP2D6 (0.40) HSD17B10CYP1A2KDM4EALDH1A1GLA
SCHEMBL2143530 0.86 HSD17B10 (0.37) HSD17B10CYP1A2KDM4EALDH1A1GLA
SCHEMBL1684660 0.85 NAMPT (0.34) NAMPTHSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL1684561 0.85 KDM4E (0.33) HSD17B10CYP1A2KDM4EALDH1A1GLA
SCHEMBL1684458 0.85 KDM4E (0.34) HSD17B10CYP1A2KDM4EALDH1A1GLA
SCHEMBL17570227 0.84 CCR8 (0.37) CCR8KCNH2NAMPTHSD17B10CYP1A2
SCHEMBL1684472 0.84 CHRM2 (0.38) HSD17B10CYP1A2KDM4EALDH1A1GLA
SCHEMBL1684448 0.84 IP6K1 (0.39) HSD17B10CYP1A2KDM4EALDH1A1GLA

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 30 patents — showing the first 20. 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-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-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-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-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US 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 (6 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CCR8 1671/4885KCNH2 99/4885NAMPT 2132/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CCR8 1671/4885KCNH2 99/4885NAMPT 2132/4885
US-20110237572-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-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-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

“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.