SCHEMBL975901

SCHEMBL975901

Nc1nnc(-c2cc(Cl)cc(C(F)(F)F)c2)c(N)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.67
ADORA1 P30542 12/20 0.67
ADORA2B P29275 1/20 0.47
RORB Q92753 2/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NOTUM Q6P988 1/20 0.40
CYP2D6 P10635 2/20 0.38
MAOA P21397 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PDE3A Q14432 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL29870155 0.89 ADORA2A (0.52) ADORA2AADORA1ADORA2BRORBCSNK1A1
SCHEMBL979235 0.89 ADORA2A (0.52) ADORA2AADORA1ADORA2BRORBCSNK1A1
SCHEMBL3929311 0.84 ADORA2A (0.62) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2322577 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2BRORB
SCHEMBL2323755 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2BRORB
SCHEMBL2324053 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2BRORB
SCHEMBL2327496 0.82 ADORA2A (0.74) ADORA2AADORA1ADORA2B
SCHEMBL2328704 0.81 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL2326936 0.81 ADORA2A (1.00) ADORA2AADORA1ADORA2BRORB
SCHEMBL2322388 0.81 ADORA2A (0.66) ADORA2AADORA1ADORA2B

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 12 patents. 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-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
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US 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

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 ADORA2A 396/4885ADORA1 243/4885ADORA2B 205/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A ADORA2A 806/4885ADORA1 775/4885ADORA2B 356/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A ADORA2A 373/4885ADORA1 217/4885ADORA2B 185/4885

“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.