SCHEMBL1684898

SCHEMBL1684898

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)NCc4ccccc4)CC3)N2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.40
TPSAB1 Q15661 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SCNN1A P37088 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
FTO Q9C0B1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL1684903 1.00 PLAU (0.40) PLAUTPSAB1KDM4ESCNN1AALDH1A1
SCHEMBL1684887 0.90 FAAH (0.36) KDM4ESCNN1ANAMPTPKMOPRD1
SCHEMBL1684892 0.90 FAAH (0.36) KDM4ESCNN1ANAMPTPKMOPRD1
SCHEMBL14553893 0.89 TPSAB1 (0.38) TPSAB1KDM4EALDH1A1NPSR1NAMPT
SCHEMBL1684548 0.88 NOS3 (0.37) ALDH1A1NAMPTHDAC1HDAC6
SCHEMBL1684552 0.88 NOS3 (0.37) ALDH1A1NAMPTHDAC1HDAC6
SCHEMBL1684835 0.87 CYP1A2 (0.42) ALDH1A1HSD17B10CYP1A2CYP2D6OPRD1
SCHEMBL1684828 0.87 CYP1A2 (0.42) ALDH1A1HSD17B10CYP1A2CYP2D6OPRD1
SCHEMBL1684559 0.87 OPRD1 (0.40) PLAUKDM4ESCNN1AALDH1A1GLA
SCHEMBL1684844 0.86 NPC1 (0.36) ALDH1A1NPC1MAPTNAMPTLMNA

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 36 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
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-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
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
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
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 (5 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 4369/4885TPSAB1 1327/4885KDM4E 4481/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G PLAU 3493/4885TPSAB1 1587/4885KDM4E 2621/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G PLAU 3493/4885TPSAB1 1587/4885KDM4E 2621/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 PLAU 4369/4885TPSAB1 1327/4885KDM4E 4481/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E PLAU 4443/4885TPSAB1 2929/4885KDM4E 2779/4885

“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.