SCHEMBL978324

SCHEMBL978324

Nc1nnc(-c2ccc(-c3ccccc3)o2)c(N)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
ADORA2A P29274 12/20 0.53
ADORA1 P30542 11/20 0.53
ADORA2B P29275 2/20 0.43
CYP2D6 P10635 3/20 0.41
MAPK1 P28482 2/20 0.41
PMP22 Q01453 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
JAK2 O60674 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CTSG P08311 1/20 0.41
GAA P10253 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
SCHEMBL976667 0.80 CSNK1A1 (1.00) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL979231 0.77 CSNK1A1 (0.92) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL975830 0.74 CSNK1A1 (0.72) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL975743 0.72 CSNK1A1 (0.76) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL6980939 0.72 ADORA2A (0.61) ADORA2AADORA1ADORA2BCYP2D6CYP3A4
SCHEMBL12922469 0.71 CSNK1A1 (0.74) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL76097 0.71 CYP2E1 (0.58) CYP2D6CYP3A4CYP2C9ALDH1A1LMNA
SCHEMBL2324215 0.70 ADORA2A (1.00) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL30186658 0.70 ADORA2A (1.00) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL977065 0.70 CSNK1A1 (0.71) CSNK1A1CLK4ADORA2AADORA1ALDH1A1

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 10 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
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 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.