SCHEMBL5076231

SCHEMBL5076231

NC1=NC(N)C(CCNc2cnc([N+](=O)[O-])c(-c3ccc(Cl)cc3Cl)n2)([N+](=O)[O-])C=C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.38
GSK3A P49840 3/20 0.38
CDK1 P06493 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
NPBWR1 P48145 1/20 0.31
PRKCQ Q04759 1/20 0.31
CRHR1 P34998 1/20 0.31
S1PR4 O95977 1/20 0.30

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
SCHEMBL4417355 0.79 GSK3B (0.59) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL4425167 0.78 GSK3B (0.59) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL23780643 0.77 GSK3B (0.60) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL18813497 0.77 GSK3B (0.59) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL3603972 0.75 EGLN2 (0.32) PIK3CAPIK3CBPIK3CG
SCHEMBL4675036 0.74 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5076249 0.74 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669937 0.74 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14175422 0.74 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4675353 0.73 GSK3B (0.50) 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 2 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-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-06-22 US 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-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.