SCHEMBL978442

SCHEMBL978442

Nc1nnc(-c2cccc(OCc3ccccc3)c2)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.57
▸ CSNK1A1 P48729 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ DHFR P00374 1/20 0.55
▸ MAOB P27338 3/20 0.52
▸ BACE1 P56817 1/20 0.50
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TNK2 Q07912 1/20 0.47
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 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
SCHEMBL12922477 0.89 CSNK1A1 (0.49) IGF1RCSNK1A1CLK4DHFRADORA2A
SCHEMBL978735 0.86 MAOB (0.47) IGF1RCSNK1A1CLK4DHFRMAOB
SCHEMBL979490 0.85 CSNK1A1 (0.61) IGF1RCSNK1A1CLK4MAOBPIK3CD
SCHEMBL12948664 0.83 ADORA2A (0.47) IGF1RCSNK1A1CLK4DHFRMAOB
SCHEMBL27631464 0.83 IGF1R (0.56) IGF1RDHFRMAOBBACE1PIK3CD
SCHEMBL9607821 0.83 NPC1 (0.49) IGF1RCSNK1A1CLK4DHFRADORA2A
SCHEMBL13787113 0.82 NOTUM (0.53) CSNK1A1CLK4DHFRPIK3CGADORA2A
SCHEMBL976372 0.82 MEN1 (0.53) IGF1RCSNK1A1CLK4DHFRMAOB
SCHEMBL976977 0.82 CSNK1A1 (0.65) CSNK1A1CLK4MAOBPIK3CDPIK3CA
SCHEMBL15761409 0.80 MAOB (0.54) IGF1RDHFRMAOBBACE1PIK3CD

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 16 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-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-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-8691818-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-04-08 — — 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
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 IGF1R 3894/4885CSNK1A1 719/4885CLK4 1935/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A IGF1R 2139/4885CSNK1A1 4578/4885CLK4 4586/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A IGF1R 3746/4885CSNK1A1 802/4885CLK4 1921/4885

“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.

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