SCHEMBL2850325

SCHEMBL2850325

Nc1nc(Cl)c(C(=O)O)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 4/20 0.37
GLA P06280 3/20 0.37
HPGD P15428 3/20 0.37
PLAU P00749 3/20 0.37
CYP1A2 P05177 3/20 0.37
SLC9A1 P19634 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
FTO Q9C0B1 2/20 0.37
SCNN1A P37088 2/20 0.37
SLC22A1 O15245 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAOA P21397 1/20 0.37
ADORA2A P29274 1/20 0.37
CYP2C19 P33261 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
SCHEMBL29153182 0.82 ALDH1A1 (0.46) TDP1ALDH1A1KDM4EPLAUCYP1A2
SCHEMBL29768708 0.81 TDP1 (0.57) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL6017198 0.81 PDPK1 (0.45) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL3793535 0.81 TDP1 (0.57) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL588905 0.76 TDP1 (0.44) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL1134621 0.74 SCNN1A (0.58) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL30992089 0.74 TDP1 (0.55) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL4300665 0.74 TDP1 (0.55) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL31647638 0.74 SCNN1A (0.58) TDP1ALDH1A1KDM4EHSD17B10GLA
SCHEMBL28172347 0.74 TDP1 (0.46) TDP1ALDH1A1KDM4EHSD17B10GLA

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 17 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-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-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (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 TDP1 3525/4885ALDH1A1 1317/4885KDM4E 2779/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TDP1 4520/4885ALDH1A1 2535/4885KDM4E 4481/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G TDP1 4463/4885ALDH1A1 2199/4885KDM4E 2621/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TDP1 4520/4885ALDH1A1 2535/4885KDM4E 4481/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TDP1 4520/4885ALDH1A1 2535/4885KDM4E 4481/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E TDP1 3525/4885ALDH1A1 1317/4885KDM4E 2779/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TDP1 4520/4885ALDH1A1 2535/4885KDM4E 4481/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G TDP1 4463/4885ALDH1A1 2199/4885KDM4E 2621/4885

“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.