SCHEMBL2904581

SCHEMBL2904581

CCN(CC)CCCNc1nnc(-c2cn(C)c3ccc(OC)cc23)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
PDK1 Q15118 1/20 0.42
GSK3B P49841 4/20 0.42
GSK3A P49840 3/20 0.42
LCK P06239 2/20 0.42
IGF1R P08069 2/20 0.42
CDK7 P50613 2/20 0.42
LRRK2 Q5S007 2/20 0.42
AURKB Q96GD4 2/20 0.42
JAK2 O60674 1/20 0.42
BTK Q06187 1/20 0.42
NQO1 P15559 1/20 0.40
NQO2 P16083 2/20 0.40
PAX8 Q06710 1/20 0.40
KIT P10721 1/20 0.40
AURKA O14965 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39

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
Iodide SCHEMBL3997829 0.99 GAA (0.47) GAAPDK1GSK3BGSK3ALCK
SCHEMBL2901598 0.88 GAA (0.48) GAAPDK1GSK3BGSK3ALCK
SCHEMBL2905932 0.86 GAA (0.52) GAAGSK3BPIM1PRKACAUSP2
SCHEMBL2901717 0.83 GAA (0.48) GAAPDK1GSK3BFGFR1FLT3
SCHEMBL2902498 0.80 KAT2B (0.43) GAAGSK3BNQO2PIM1PRKACA
SCHEMBL2905024 0.80 GAA (0.58) GAAGSK3BGSK3ANQO1PAX8
SCHEMBL2904842 0.78 GAA (0.48) GAAGSK3BGSK3AAURKBPIM1
SCHEMBL2907150 0.77 GAA (0.55) GAAGSK3BGSK3ANQO1PAX8
SCHEMBL2908633 0.76 PRKCA (0.48) GAAGSK3BNQO2PIM1PRKACA
SCHEMBL2902665 0.75 GAA (0.49) GAAGSK3BALDH1A1NPSR1KDM4E

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-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 EP claimed
EP-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
EP-1874761-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Aventis Pharma S.A. (FR) 2008-01-09 EP disclosed
WO-2006111662-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA S.A. (FR) 2006-10-26 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 (1 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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R GAA 1439/4885PDK1 726/4885GSK3B 1634/4885

“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.