SCHEMBL781272

SCHEMBL781272

CC(C)(C)OC(=O)COc1ccc(CCC(=O)N2CCC3(CC2)CNC(=NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
OPRD1 P41143 1/20 0.31
ENPP2 Q13822 1/20 0.31
ATXN2 Q99700 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL781270 1.00 USP2 (0.31) USP2ALDH1A1MAPTTSHROPRD1
SCHEMBL783157 0.91 SCNN1A (0.35) ALDH1A1ENPP2ATXN2
SCHEMBL783155 0.91 SCNN1A (0.35) ALDH1A1ENPP2ATXN2
SCHEMBL781968 0.91 SCNN1A (0.35) USP2ALDH1A1MAPTTSHROPRD1
SCHEMBL781966 0.91 SCNN1A (0.35) USP2ALDH1A1MAPTTSHROPRD1
SCHEMBL782922 0.88 SCNN1A (0.34) ALDH1A1ENPP2ATXN2
SCHEMBL782920 0.88 SCNN1A (0.34) ALDH1A1ENPP2ATXN2
SCHEMBL782806 0.87 OPRD1 (0.32) ALDH1A1TSHROPRD1
SCHEMBL782804 0.87 OPRD1 (0.32) ALDH1A1TSHROPRD1
SCHEMBL16488464 0.86 OPRD1 (0.32) ALDH1A1OPRD1

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-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
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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 (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 USP2 4442/4885ALDH1A1 2428/4885MAPT 3879/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A USP2 4442/4885ALDH1A1 2428/4885MAPT 3879/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A USP2 4442/4885ALDH1A1 2428/4885MAPT 3879/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A USP2 4442/4885ALDH1A1 2428/4885MAPT 3879/4885

“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.