SCHEMBL2843304

SCHEMBL2843304

Nc1nc(N)c(C(=O)N=C2NCC3(CCN(C(=O)O)CC3)N2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PLAU P00749 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
SLC9A5 Q14940 3/20 0.40
GAA P10253 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
SLC9A1 P19634 2/20 0.40
ADORA2A P29274 2/20 0.40
CYP2C19 P33261 2/20 0.40
SCNN1A P37088 2/20 0.40
SLC22A1 O15245 1/20 0.40
HTR1A P08908 1/20 0.40
MAOA P21397 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL2843296 1.00 ALDH1A1 (0.40) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL12215881 0.91 ALDH1A1 (0.39) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL12215560 0.90 ALDH1A1 (0.38) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL10189567 0.89 ALDH1A1 (0.38) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL2143658 0.89 ALDH1A1 (0.38) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL12825104 0.89 ALDH1A1 (0.38) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL12743808 0.88 PLAU (0.40) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL2142556 0.88 PLAU (0.40) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL18323333 0.88 CYP1A2 (0.37) ALDH1A1PLAUKDM4EGLAHPGD
SCHEMBL1684407 0.88 PLAU (0.37) ALDH1A1PLAUKDM4EGLAHPGD

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
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-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 ALDH1A1 1317/4885PLAU 4443/4885KDM4E 2779/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885PLAU 4369/4885KDM4E 4481/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ALDH1A1 2199/4885PLAU 3493/4885KDM4E 2621/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885PLAU 4369/4885KDM4E 4481/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885PLAU 4369/4885KDM4E 4481/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E ALDH1A1 1317/4885PLAU 4443/4885KDM4E 2779/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885PLAU 4369/4885KDM4E 4481/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ALDH1A1 2199/4885PLAU 3493/4885KDM4E 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.