SCHEMBL781732

SCHEMBL781732

Nc1nc(N)c(C(=O)N=C2NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCC5(C(=O)O)CCC5)c4)CC3)N2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 4/20 0.35
PKLR P30613 1/20 0.33
KCNH2 Q12809 1/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL781730 1.00 PKM (0.38) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL781681 0.91 ENPP2 (0.34) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL781683 0.91 ENPP2 (0.34) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL781954 0.89 ALDH1A1 (0.40) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL781952 0.89 ALDH1A1 (0.40) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL10189538 0.88 PKM (0.37) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL12238818 0.86 ALDH1A1 (0.39) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL782925 0.86 ENPP2 (0.34) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL782923 0.86 ENPP2 (0.34) PKMRAB9AALDH1A1LMNAMAPK1
SCHEMBL29798797 0.86 ENPP2 (0.34) PKMRAB9AALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP claimed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO claimed
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A PKM 2260/4885RAB9A 233/4885ALDH1A1 2428/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A PKM 2260/4885RAB9A 233/4885ALDH1A1 2428/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A PKM 2260/4885RAB9A 233/4885ALDH1A1 2428/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A PKM 2260/4885RAB9A 233/4885ALDH1A1 2428/4885

“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.