SCHEMBL2849895

SCHEMBL2849895

N=C1NCC2(CCN(C(=O)c3cccc(S(=O)(=O)NCc4cccnc4)c3)CC2)N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 3/20 0.49
NAMPT P43490 2/20 0.49
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PKLR P30613 1/20 0.45
VNN1 O95497 1/20 0.44
IDO1 P14902 1/20 0.43
HSD11B1 P28845 1/20 0.42

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
SCHEMBL16211169 0.92 PKM (0.46) PKMRAB9AALDH1A1LMNANAMPT
SCHEMBL2846508 0.84 RAB9A (0.50) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL2844715 0.84 RAB9A (0.45) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL2844293 0.83 ALDH1A1 (0.41) PKMRAB9AALDH1A1LMNANAMPT
SCHEMBL2849858 0.81 PKM (0.46) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL2842296 0.80 RAB9A (0.44) PKMRAB9AALDH1A1LMNANAMPT
SCHEMBL17574077 0.80 LMNA (0.44) PKMRAB9AALDH1A1LMNANAMPT
SCHEMBL2125530 0.80 LMNA (0.43) PKMRAB9AALDH1A1LMNANAMPT
SCHEMBL2842376 0.79 CHRM2 (0.51) PKMALDH1A1LMNAMAPK1MEN1
SCHEMBL2847102 0.77 NPC1 (0.39) PKMRAB9AALDH1A1NAMPTKMT2A

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 11 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-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
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-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 (4 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 PKM 3464/4885RAB9A 378/4885ALDH1A1 1317/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G PKM 2647/4885RAB9A 439/4885ALDH1A1 2199/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E PKM 3464/4885RAB9A 378/4885ALDH1A1 1317/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G PKM 2647/4885RAB9A 439/4885ALDH1A1 2199/4885

“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.