SCHEMBL4671986

SCHEMBL4671986

CC(=O)Nc1ncc(NCCNc2ccc([N+](=O)[O-])c(N)n2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.58
GSK3A P49840 3/20 0.58
CDK1 P06493 2/20 0.58
CCNB2 O95067 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
POLB P06746 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCQ Q04759 4/20 0.35
PDE7A Q13946 1/20 0.35
STK17A Q9UEE5 1/20 0.35
CRHR1 P34998 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL4672216 0.90 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669938 0.86 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094779 0.85 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14175422 0.85 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.83 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5079017 0.82 GSK3B (0.56) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099975 0.80 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5091527 0.80 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5098978 0.79 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094406 0.79 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1

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 11 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
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 GSK3B 1/4885GSK3A 2/4885CDK1 25/4885
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CDK1 25/4885
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CDK1 25/4885

“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.