Sugi Predict

Sugi Predict / Compounds / SCHEMBL976667

SCHEMBL976667

SCHEMBL976667

Nc1nnc(-c2ccccc2)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 1.00
▸ CLK4 Q9HAZ1 1/20 1.00
▸ ADORA2A P29274 17/20 0.73
▸ ADORA1 P30542 16/20 0.73
▸ ADORA2B P29275 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ GMNN O75496 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ CTSG P08311 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HPGD P15428 1/20 0.55

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
SCHEMBL979231 0.96 CSNK1A1 (0.92) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL975743 0.87 CSNK1A1 (0.76) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL12922469 0.85 CSNK1A1 (0.74) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL2324215 0.84 ADORA2A (1.00) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL30186658 0.84 ADORA2A (1.00) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL975830 0.84 CSNK1A1 (0.72) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL977065 0.84 CSNK1A1 (0.71) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL30413191 0.84 CSNK1A1 (0.71) CSNK1A1CLK4ADORA2AADORA1ALDH1A1
SCHEMBL978324 0.80 CSNK1A1 (0.66) CSNK1A1CLK4ADORA2AADORA1ADORA2B
SCHEMBL976977 0.80 CSNK1A1 (0.65) CSNK1A1CLK4ADORA2AADORA1ADORA2B

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 28 patents — showing the first 20. 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-9617228-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2017-04-11 — — US disclosed
US-9617228-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2017-04-11 — — 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-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS 2016-07-07 — — US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 — — EP disclosed
US-9266845-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2016-02-23 — — US disclosed
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 — — EP disclosed
US-8268823-B2 Medical use of triazine derivatives UNIVERSITY OF GREENWICH (GB) 2012-09-18 — — US disclosed
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NEKTAR THERAPEUTICS (US) 2012-05-17 — — US disclosed
WO-2011095625-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2011-08-11 — — WO 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
US-20090291954-A1 Medical Use of Triazine Derivatives UNIVERSITY OF GREENWICH (GB) 2009-11-26 — — US disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 — — WO disclosed
EP-2043656-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES University of Greenwich (GB) 2009-04-08 — — EP disclosed
WO-2008007149-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2008-01-17 — — 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 (5 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-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A CSNK1A1 4578/4885CLK4 4586/4885ADORA2A 806/4885
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NOD2, HTT, CUL5 CSNK1A1 4757/4885CLK4 3702/4885ADORA2A 666/4885
US-20090291954-A1 Medical Use of Triazine Derivatives KCNH1, KCNJ1, KCNN1 CSNK1A1 2606/4885CLK4 2762/4885ADORA2A 302/4885
US-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NOD2, HTT, IPO5 CSNK1A1 4516/4885CLK4 4221/4885ADORA2A 376/4885
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.