SCHEMBL1684473

SCHEMBL1684473

COC(=O)c1ccc(C(=O)N2CCC3(CC2)CNC(=NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 2/20 0.39
OPRD1 P41143 3/20 0.38
OPRK1 P41145 2/20 0.38
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
CRBN Q96SW2 1/20 0.36
CYP3A4 P08684 5/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 4/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 3/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
IP6K1 Q92551 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SLC22A1 O15245 1/20 0.32
PLAU P00749 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1684470 1.00 SCNN1A (0.39) SCNN1AOPRD1OPRK1ACACBACACA
SCHEMBL2143530 0.93 HSD17B10 (0.37) SCNN1AACACBACACACYP3A4CYP2C9
SCHEMBL1684869 0.91 ACACB (0.35) SCNN1AACACBACACACYP3A4CYP2C9
SCHEMBL1684868 0.91 ACACB (0.35) SCNN1AACACBACACACYP3A4CYP2C9
SCHEMBL12239804 0.91 ACACB (0.37) OPRD1OPRK1ACACBACACACRBN
SCHEMBL12215897 0.91 GABRD (0.41) SCNN1AACACBACACATSHRCYP2D6
SCHEMBL2142700 0.90 KDM4E (0.35) SCNN1AACACBACACACYP3A4CYP2C9
SCHEMBL1684448 0.90 IP6K1 (0.39) SCNN1ATSHRCYP2D6HPGDCYP1A2
SCHEMBL1684677 0.90 SCNN1A (0.34) SCNN1AACACBACACACYP3A4CYP2C9
SCHEMBL19392657 0.90 IP6K1 (0.38) SCNN1AACACBACACACYP3A4CYP2C9

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
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-2444120-A1 Spirocyclic amiloride analogues as ENac blockers Novartis AG (CH) 2012-04-25 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 SCNN1A 29/4885OPRD1 172/4885OPRK1 177/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 SCNN1A 16/4885OPRD1 1691/4885OPRK1 2710/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCNN1A 16/4885OPRD1 1691/4885OPRK1 2710/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885OPRD1 1117/4885OPRK1 769/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885OPRD1 1117/4885OPRK1 769/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCNN1A 16/4885OPRD1 1691/4885OPRK1 2710/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCNN1A 16/4885OPRD1 1691/4885OPRK1 2710/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E SCNN1A 29/4885OPRD1 172/4885OPRK1 177/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCNN1A 16/4885OPRD1 1691/4885OPRK1 2710/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885OPRD1 1117/4885OPRK1 769/4885

“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.