SCHEMBL5076233

SCHEMBL5076233

Nc1cc(CCNc2cnc([N+](=O)[O-])c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.43
GSK3A P49840 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PKM P14618 1/20 0.36
S1PR4 O95977 4/20 0.34
CRHR1 P34998 1/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL6402266 0.88 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14175422 0.80 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4672350 0.79 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7700241 0.78 S1PR4 (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669937 0.77 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4675353 0.77 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4417357 0.77 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5076249 0.77 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4675036 0.77 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL4425172 0.76 GSK3B (0.68) 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.