SCHEMBL976510

SCHEMBL976510

Nc1nnc(-c2ccc3ccccc3c2)c(N)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.71
ADORA1 P30542 9/20 0.71
CSNK1A1 P48729 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
SRC P12931 2/20 0.58
DHFR P00374 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AR P10275 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27847891 0.86 ADORA2A (0.71) ADORA2AADORA1CSNK1A1CLK4SRC
SCHEMBL2323555 0.83 ADORA2A (1.00) ADORA2AADORA1CSNK1A1CLK4SRC
SCHEMBL17350618 0.83 CSNK1A1 (0.51) ADORA2AADORA1CSNK1A1CLK4SRC
SCHEMBL12922469 0.81 CSNK1A1 (0.74) ADORA2AADORA1CSNK1A1CLK4PIK3CD
SCHEMBL979231 0.79 CSNK1A1 (0.92) ADORA2AADORA1CSNK1A1CLK4DHFR
SCHEMBL976667 0.79 CSNK1A1 (1.00) ADORA2AADORA1CSNK1A1CLK4DHFR
SCHEMBL975743 0.79 CSNK1A1 (0.76) ADORA2AADORA1CSNK1A1CLK4DHFR
SCHEMBL12922477 0.77 CSNK1A1 (0.49) ADORA2AADORA1CSNK1A1CLK4DHFR
SCHEMBL23625965 0.76 SRC (0.51) ADORA2AADORA1SRCDHFRCYP1A2
SCHEMBL977065 0.76 CSNK1A1 (0.71) ADORA2AADORA1CSNK1A1CLK4NPC1

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 ADORA2A 396/4885ADORA1 243/4885CSNK1A1 719/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A ADORA2A 806/4885ADORA1 775/4885CSNK1A1 4578/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A ADORA2A 373/4885ADORA1 217/4885CSNK1A1 802/4885

“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.