SCHEMBL2844976

SCHEMBL2844976

N=C1NC(c2ccccc2)C(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GBA1 P04062 1/20 0.39
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOS1 P29475 1/20 0.35
NPC1 O15118 1/20 0.34

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
Bromide SCHEMBL6633416 0.97 SMN1; SMN2 (0.40) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL3258945 0.79 MEN1 (0.47) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL3259222 0.79 MEN1 (0.47) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL3258947 0.79 MEN1 (0.47) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL3257578 0.79 MEN1 (0.47) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL29264501 0.76 MEN1 (0.45) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL15669988 0.76 SMN1; SMN2 (0.54) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL2724030 0.74 SMN1; SMN2 (0.52) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL2724029 0.74 SMN1; SMN2 (0.52) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3
SCHEMBL10537566 0.71 SMN1; SMN2 (0.61) SMN1; SMN2P2RX7MEN1KMT2ASLC18A3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 SMN1; SMN2 1712/4885P2RX7 551/4885MEN1 854/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SMN1; SMN2 3332/4885P2RX7 245/4885MEN1 3122/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G SMN1; SMN2 812/4885P2RX7 262/4885MEN1 759/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SMN1; SMN2 3332/4885P2RX7 245/4885MEN1 3122/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SMN1; SMN2 3332/4885P2RX7 245/4885MEN1 3122/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E SMN1; SMN2 1712/4885P2RX7 551/4885MEN1 854/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 SMN1; SMN2 3332/4885P2RX7 245/4885MEN1 3122/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G SMN1; SMN2 812/4885P2RX7 262/4885MEN1 759/4885

“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.