SCHEMBL4672956

SCHEMBL4672956

O=[N+]([O-])c1ncc(Br)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 6/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
NPBWR1 P48145 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD11B1 P28845 1/20 0.38
GSK3B P49841 3/20 0.38
CDK1 P06493 2/20 0.38

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
SCHEMBL7700241 0.84 S1PR4 (0.42) S1PR4LMNAHPGDNPBWR1NPC1
SCHEMBL3821288 0.78 S1PR4 (0.41) S1PR4HPGDNPC1MAPTKDM4E
SCHEMBL3814809 0.77 HSP90AB1 (0.45) LMNAKDM4E
SCHEMBL7090055 0.74 S1PR4 (0.43) S1PR4LMNAHPGDNPBWR1NPC1
SCHEMBL14175422 0.73 GSK3B (0.64) S1PR4NPBWR1MAPTTSHRMAPK1
SCHEMBL4675036 0.73 GSK3B (0.51) S1PR4LMNAHPGDNPBWR1NPC1
SCHEMBL5076249 0.73 GSK3B (0.62) LMNANPBWR1NPC1MAPTPIK3CA
SCHEMBL4672350 0.73 GSK3B (0.51) LMNANPBWR1MAPTPIK3CAPIK3CB
SCHEMBL6321397 0.72 HPGD (0.37) S1PR4LMNAHPGDNPC1MAPT
SCHEMBL5076233 0.71 GSK3B (0.43) S1PR4LMNAHPGDNPBWR1NPC1

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
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
EP-1237880-B1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-01-23 EP disclosed
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-06-22 US disclosed
US-6949547-B2 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2005-09-27 US disclosed
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 NUSS JOHN M (US) 2003-11-20 US disclosed
US-6608063-B2 For example: (2-(3-amino-4-nitrophenyl)amino)ethyl)(6-(2,4-dichlorophenyl-5-nitropyrazin -2-yl)-amine; antidiabetic, -carcingenic and ischemic agents; nervous and cardiovascular system disorders; immunotherapy; obesity; syndromes CHIRON CORPORATION 2003-08-19 US disclosed
EP-1237880-A2 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-09-11 EP disclosed
WO-2001044206-A9 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2002-05-23 WO disclosed
US-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-10-25 US disclosed
WO-2001044206-A1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 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-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP S1PR4 1943/4885LMNA 1011/4885HPGD 1633/4885
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP S1PR4 1943/4885LMNA 1011/4885HPGD 1633/4885
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP S1PR4 1943/4885LMNA 1011/4885HPGD 1633/4885

“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.