Sugi Predict

Sugi Predict / Compounds / SCHEMBL977030

SCHEMBL977030

SCHEMBL977030

Nc1nnc(-c2ccccc2Br)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ SCN4A P35499 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ SCN5A Q14524 1/20 0.56
▸ SCN9A Q15858 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ SCN3A Q9NY46 1/20 0.56
▸ SCN10A Q9Y5Y9 1/20 0.56
▸ ADORA2A P29274 4/20 0.44
▸ ADORA1 P30542 4/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MYC P01106 1/20 0.41

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
SCHEMBL17838933 0.82 CSNK1A1 (0.58) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL10811842 0.78 SCN9A (0.75) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL975830 0.78 CSNK1A1 (0.72) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL743366 0.78 CSNK1A1 (0.56) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL2324859 0.78 CSNK1A1 (0.56) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL3559632 0.78 CSNK1A1 (0.56) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL978392 0.76 CYP2D6 (0.58) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL11067545 0.76 CYP2D6 (0.50) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL27864983 0.75 CSNK1A1 (0.53) CSNK1A1CLK4MAPK1CYP2D6MAOA
SCHEMBL11052894 0.75 MTOR (0.62) CSNK1A1CLK4MAPK1CYP2D6BLM

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 — — EP claimed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 — — US claimed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 — — EP disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 — — US disclosed
US-9617228-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2017-04-11 — — US disclosed
US-9617228-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2017-04-11 — — US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 — — US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 — — US disclosed
US-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS 2016-07-07 — — US disclosed
US-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS 2016-07-07 — — US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 — — EP disclosed
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NEKTAR THERAPEUTICS (US) 2012-05-17 — — US disclosed
CN-102421763-A Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS 2012-04-18 — — CN disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 — — US disclosed
CN-101918378-A Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2010-12-15 — — CN disclosed
EP-2229371-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2010-09-22 — — EP disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 — — WO disclosed
US-4602017-A Substituted aromatic compounds SMITHKLINE BEECHAM CORPORATION(A PENNSYLVANIA CORPORATION) 1986-07-22 — — US disclosed
US-4486354-A ANTICONVULSANTS BURROUGH WELLCOME CO. 1984-12-04 — — US disclosed
EP-0021121-A1 1,2,4-Triazine derivatives, process for preparing such compounds and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-07 — — EP 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 (5 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-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CSNK1A1 719/4885CLK4 1935/4885MAPK1 3993/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CSNK1A1 4578/4885CLK4 4586/4885MAPK1 2697/4885
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NOD2, HTT, CUL5 CSNK1A1 4757/4885CLK4 3702/4885MAPK1 4483/4885
US-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NOD2, HTT, IPO5 CSNK1A1 4516/4885CLK4 4221/4885MAPK1 4739/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CSNK1A1 802/4885CLK4 1921/4885MAPK1 3755/4885

“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.