SCHEMBL2846499

SCHEMBL2846499

COCCOCOc1ccc(CCC(=O)N2CCC3(CC2)CNC(=N)N3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 4/20 0.45
ME1 P48163 4/20 0.45
ME3 Q16798 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
FKBP1A P62942 1/20 0.41
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APP P05067 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
GPR183 P32249 1/20 0.35

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
SCHEMBL2843406 0.91 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL2848949 0.83 ALDH1A1 (0.43) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL2851910 0.82 FFAR1 (0.48) ALDH1A1KMT2AMEN1FKBP1AYAP1
SCHEMBL2848919 0.82 ALDH1A1 (0.42) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL2846658 0.81 ALDH1A1 (0.44) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL2843374 0.80 ME2 (0.45) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL12824794 0.78 ME2 (0.38) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL2127440 0.77 ME2 (0.38) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL2844338 0.76 KMT2A (0.42) ME2ME1ME3ALDH1A1KMT2A
SCHEMBL14553789 0.76 ME2 (0.37) ME2ME1ME3ALDH1A1KMT2A

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 ME2 1643/4885ME1 557/4885ME3 724/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ME2 1077/4885ME1 1536/4885ME3 1326/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E ME2 1643/4885ME1 557/4885ME3 724/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G ME2 1077/4885ME1 1536/4885ME3 1326/4885

“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.