SCHEMBL781979

SCHEMBL781979

Nc1nc(N)c(C(=O)N=C2NCC3(CCN(C(=O)c4cccc(NC(=O)NCCC(=O)O)c4)CC3)N2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
CYP3A4 P08684 8/20 0.34
USP2 O75604 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRBN Q96SW2 1/20 0.34
CYP1A2 P05177 3/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
TSHR P16473 3/20 0.33
P2RY12 Q9H244 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.33
ATR Q13535 4/20 0.33

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
SCHEMBL781977 1.00 GABRD (0.35) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL781940 0.91 ALDH1A1 (0.38) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL781938 0.91 ALDH1A1 (0.38) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL1684550 0.87 CYP3A4 (0.38) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL782763 0.87 TLR8 (0.34) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL29798752 0.87 TLR8 (0.34) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL782765 0.87 TLR8 (0.34) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL19393006 0.85 GABRD (0.38) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL781952 0.85 ALDH1A1 (0.40) SMN1; SMN2MAPK1KDM4ECYP2C19
SCHEMBL781954 0.85 ALDH1A1 (0.40) SMN1; SMN2MAPK1KDM4ECYP2C19

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
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 GABRD 2830/4885GABRA1 1237/4885GABRB1 1267/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A GABRD 2830/4885GABRA1 1237/4885GABRB1 1267/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A GABRD 2830/4885GABRA1 1237/4885GABRB1 1267/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A GABRD 2830/4885GABRA1 1237/4885GABRB1 1267/4885

“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.