SCHEMBL975784

SCHEMBL975784

Nc1ncc(-c2cccc(Cl)c2Cl)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
MAOA P21397 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SCN4A P35499 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
PDE3A Q14432 1/20 0.57
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
SCN10A Q9Y5Y9 1/20 0.57
PTPN11 Q06124 4/20 0.56
DHFR P00374 3/20 0.55
FGFR1 P11362 2/20 0.55
SRC P12931 2/20 0.55
NUDT1 P36639 3/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
Pyrimidine SCHEMBL3091353 0.91 PTPN11 (0.49) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6049559 0.86 FGFR1 (0.49) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL4186547 0.86 DHFR (0.56) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL8129153 0.85 FGFR1 (0.74) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6049543 0.83 PTPN11 (0.53) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL4338538 0.82 FGFR1 (0.71) DHFRFGFR1SRC
SCHEMBL6049656 0.81 DHFR (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6049544 0.80 PTPN1 (0.55) CYP2D6MAOAMAPK1ADRA1ASCN4A
Hydrochloric Acid SCHEMBL6049648 0.79 PTPN11 (0.46) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL27421393 0.79 PTPN11 (0.46) CYP2D6MAOAMAPK1ADRA1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US disclosed
CN-101918378-B Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2013-12-04 CN disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US 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
EP-0727213-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0727214-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0727212-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
CN-1117046-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1996-02-21 CN disclosed
CN-1113487-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1995-12-20 CN disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
CN-1052306-A Compounds having pharmacological activity on the central nervous system WELLCOME FOUND (GB) 1991-06-19 CN disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 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 (3 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 CYP2D6 1326/4885MAOA 321/4885MAPK1 3993/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CYP2D6 3472/4885MAOA 460/4885MAPK1 2697/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CYP2D6 1055/4885MAOA 347/4885MAPK1 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.