SCHEMBL2847772

SCHEMBL2847772

N=C1NCC2(CCN(C(=O)c3cccc4ncccc34)CC2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
EPHX2 P34913 1/20 0.47
HCRTR2 O43614 1/20 0.46
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
RORC P51449 1/20 0.42
CHRM2 P08172 1/20 0.40
GRM4 Q14833 2/20 0.39
PKLR P30613 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CCKBR P32239 1/20 0.38
NSD2 O96028 1/20 0.37
AVPR1A P37288 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 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
SCHEMBL2847550 0.79 MAPK14 (0.51) HCRTR2CHRM2AVPR1A
SCHEMBL2842730 0.77 SPR (0.56) EPHX2CHRM2CYP2C9ALDH1A1ACACB
SCHEMBL2844974 0.77 L3MBTL1 (0.58) EPHX2CYP2C9ALDH1A1
SCHEMBL2844089 0.76 HCRTR2 (0.46) HCRTR2ALDH1A1
SCHEMBL12238843 0.75 EPHX2 (0.40) SCN5ASCN9AEPHX2HCRTR2FNTA
SCHEMBL1684502 0.74 EPHX2 (0.39) SCN5ASCN9AEPHX2HCRTR2FNTA
SCHEMBL2849785 0.74 CYP3A4 (0.51) CYP2C9ALDH1A1
SCHEMBL2846197 0.74 CRBN (0.52) CHRM2CYP2C9ALDH1A1LMNA
SCHEMBL2842376 0.74 CHRM2 (0.51) CHRM2CYP2C9ALDH1A1LMNA
SCHEMBL2846875 0.72 ALDH1A1 (0.49) ALDH1A1LMNA

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 10 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
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-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
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 (7 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 SCN5A 131/4885SCN9A 16/4885EPHX2 3048/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCN5A 67/4885SCN9A 129/4885EPHX2 1166/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G SCN5A 9/4885SCN9A 26/4885EPHX2 2595/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCN5A 67/4885SCN9A 129/4885EPHX2 1166/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E SCN5A 131/4885SCN9A 16/4885EPHX2 3048/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SCN5A 67/4885SCN9A 129/4885EPHX2 1166/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G SCN5A 9/4885SCN9A 26/4885EPHX2 2595/4885

“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.