SCHEMBL1684407

SCHEMBL1684407

CC(C)C(=O)N1CCC2(CC1)CN/C(=N\C(=O)c1nc(Cl)c(N)nc1N)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.37
CYP1A2 P05177 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SLC9A5 Q14940 4/20 0.37
CYP2D6 P10635 4/20 0.37
TSHR P16473 4/20 0.37
SLC9A1 P19634 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 3/20 0.37
CYP2C19 P33261 3/20 0.37
GAA P10253 2/20 0.37
OPRM1 P35372 2/20 0.37
ADORA2A P29274 2/20 0.37
BLM P54132 2/20 0.37
SLC22A1 O15245 1/20 0.37
HTR1A P08908 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL12238996 0.89 PLAU (0.36) PLAU
SCHEMBL12215881 0.89 ALDH1A1 (0.39) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL2843296 0.88 ALDH1A1 (0.40) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL2843304 0.88 ALDH1A1 (0.40) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL2142556 0.87 PLAU (0.40) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL12743808 0.87 PLAU (0.40) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL18323333 0.86 CYP1A2 (0.37) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL19392959 0.86 KDM4E (0.31) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL2143663 0.86 RAB9A (0.32) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6
SCHEMBL12215560 0.86 ALDH1A1 (0.38) PLAUCYP1A2ALDH1A1SLC9A5CYP2D6

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 PLAU 4369/4885CYP1A2 1677/4885ALDH1A1 2535/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 PLAU 4369/4885CYP1A2 1677/4885ALDH1A1 2535/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G PLAU 3493/4885CYP1A2 2340/4885ALDH1A1 2199/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G PLAU 3493/4885CYP1A2 2340/4885ALDH1A1 2199/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 PLAU 4369/4885CYP1A2 1677/4885ALDH1A1 2535/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E PLAU 4443/4885CYP1A2 1786/4885ALDH1A1 1317/4885

“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.