SCHEMBL975971

SCHEMBL975971

Nc1nnc(-c2ccccc2OCc2ccccc2)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.53
LTA4H P09960 1/20 0.51
MAPK14 Q16539 1/20 0.51
CSNK1A1 P48729 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
BRD4 O60885 3/20 0.47
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAOA P21397 1/20 0.46
ADRA1A P35348 1/20 0.46
SCN4A P35499 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE3A Q14432 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
DHFR P00374 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
SCHEMBL976380 0.78 CSNK1A1 (0.53) CSNK1A1CLK4BRD4MAPK1CYP2D6
SCHEMBL30412019 0.78 CSNK1A1 (0.53) CSNK1A1CLK4BRD4MAPK1CYP2D6
SCHEMBL978386 0.77 CYP2D6 (0.47) DCPSMAPK1CYP2D6MAOAADRA1A
SCHEMBL7542561 0.77 ADORA2A (0.55) DCPSCSNK1A1CLK4MAPK1CYP2D6
SCHEMBL979490 0.77 CSNK1A1 (0.61) CSNK1A1CLK4MAOAMAPTL3MBTL1
SCHEMBL3399437 0.76 BRD4 (0.51) DCPSLTA4HMAPK14BRD4MAPK1
SCHEMBL9566443 0.76 BRD4 (0.57) DCPSLTA4HMAPK14BRD4MAPK1
SCHEMBL3787589 0.75 APP (0.54) LTA4HMAPK14BRD4MAPK1MAOA
SCHEMBL978442 0.74 IGF1R (0.57) CSNK1A1CLK4DHFRMAPT
SCHEMBL26013299 0.74 MAPT (0.63) LTA4HMAPK14BRD4MAPK1MAPT

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 DCPS 2938/4885LTA4H 1597/4885MAPK14 4623/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A DCPS 3686/4885LTA4H 3474/4885MAPK14 3992/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A DCPS 2654/4885LTA4H 1727/4885MAPK14 4643/4885

“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.