SCHEMBL12922491

SCHEMBL12922491

Nc1nnc(-c2cccc(OCCN3CCCC3)c2)c(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.60
▸ BACE1 P56817 2/20 0.58
▸ MAP4K4 O95819 2/20 0.58
▸ ADORA1 P30542 7/20 0.51
▸ ADORA2A P29274 6/20 0.51
▸ HRH3 Q9Y5N1 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAK O14976 1/20 0.48
▸ DYRK3 O43781 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ FECH P22830 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48

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
SCHEMBL12922492 0.99 BACE1 (0.60) LTA4HBACE1MAP4K4ADORA1ADORA2A
SCHEMBL2493839 0.81 LTA4H (0.60) LTA4HBACE1MAP4K4ADORA1ADORA2A
SCHEMBL13787113 0.77 NOTUM (0.53) MAP4K4ADORA1ADORA2ACSNK1A1MAPK10
SCHEMBL12922499 0.76 IGF1R (0.57) CSNK1A1CLK4
SCHEMBL978442 0.74 IGF1R (0.57) BACE1ADORA1ADORA2ACSNK1A1CLK4
SCHEMBL264157 0.74 LTA4H (0.81) LTA4HBACE1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22824348 0.74 BACE1 (0.68) LTA4HBACE1MAP4K4HRH3KDM4E
SCHEMBL15536347 0.73 MAP4K4 (1.00) LTA4HBACE1MAP4K4
SCHEMBL3216190 0.73 LTA4H (0.79) LTA4HBACE1HRH3KDM4EALDH1A1
SCHEMBL3209561 0.73 LTA4H (0.79) LTA4HBACE1HRH3KDM4EALDH1A1

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 13 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-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
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 — — US disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 — — US 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
US-8691818-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-04-08 — — US 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
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 LTA4H 1597/4885BACE1 2641/4885MAP4K4 2366/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A LTA4H 3474/4885BACE1 203/4885MAP4K4 4225/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A LTA4H 1727/4885BACE1 3078/4885MAP4K4 2188/4885

“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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