SCHEMBL977065

SCHEMBL977065

Nc1nnc(-c2ccc(Oc3ccccc3)cc2)c(N)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
ADORA2A P29274 4/20 0.59
ADORA1 P30542 3/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SCN9A Q15858 2/20 0.48
TNK2 Q07912 5/20 0.47
BTK Q06187 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
NUDT14 O95848 1/20 0.44
NUDT5 Q9UKK9 1/20 0.44

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
SCHEMBL30413191 1.00 CSNK1A1 (0.71) CSNK1A1CLK4ADORA2AADORA1NPC1
SCHEMBL12922467 0.93 CSNK1A1 (0.63) CSNK1A1CLK4ADORA2AADORA1NPC1
SCHEMBL976977 0.86 CSNK1A1 (0.65) CSNK1A1CLK4ADORA2AADORA1MEN1
SCHEMBL979231 0.84 CSNK1A1 (0.92) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL976667 0.84 CSNK1A1 (1.00) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL979490 0.80 CSNK1A1 (0.61) CSNK1A1CLK4NPC1RAB9AMAOA
SCHEMBL976380 0.78 CSNK1A1 (0.53) CSNK1A1CLK4ADORA2AADORA1SCN9A
SCHEMBL30412019 0.78 CSNK1A1 (0.53) CSNK1A1CLK4ADORA2AADORA1SCN9A
SCHEMBL976510 0.76 ADORA2A (0.71) CSNK1A1CLK4ADORA2AADORA1NPC1
SCHEMBL2326463 0.75 ADORA2A (1.00) CSNK1A1CLK4ADORA2AADORA1MEN1

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-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
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
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

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 CSNK1A1 719/4885CLK4 1935/4885ADORA2A 396/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CSNK1A1 4578/4885CLK4 4586/4885ADORA2A 806/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A CSNK1A1 802/4885CLK4 1921/4885ADORA2A 373/4885

“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.