SCHEMBL781938

SCHEMBL781938

CCOC(=O)CCNC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 3/20 0.36
PLAU P00749 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 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
SCHEMBL781940 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL782765 0.92 TLR8 (0.34) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL782763 0.92 TLR8 (0.34) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL29798752 0.92 TLR8 (0.34) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL781977 0.91 GABRD (0.35) KDM4EHTTMAPK1GABRDGABRA1
SCHEMBL781979 0.91 GABRD (0.35) KDM4EHTTMAPK1GABRDGABRA1
SCHEMBL805323 0.85 TLR8 (0.34) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL1684550 0.85 CYP3A4 (0.38) ALDH1A1KMT2AHPGDHTTGABRD
SCHEMBL19393006 0.84 GABRD (0.38) MAPK1GABRDGABRA1GABRB1GABRA5
SCHEMBL14693120 0.84 TLR8 (0.33) KMT2AGABRDGABRA1GABRB1GABRA5

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 ALDH1A1 2428/4885MAPT 3879/4885KDM4E 2739/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885MAPT 3879/4885KDM4E 2739/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885MAPT 3879/4885KDM4E 2739/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885MAPT 3879/4885KDM4E 2739/4885

“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.