SCHEMBL5082585

SCHEMBL5082585

Nc1nc(NCCc2nc(N)c(-c3ccc(Cl)cc3Cl)nc2N)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 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
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPBWR1 P48145 1/20 0.34
HSD11B1 P28845 1/20 0.34
DPP4 P27487 3/20 0.33
MAPT P10636 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CRHR1 P34998 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4399102 0.86 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669938 0.83 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099975 0.82 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7851212 0.82 GSK3B (0.55) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4973794 0.81 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14175422 0.80 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5098978 0.80 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7023140 0.79 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7104461 0.79 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401594 0.79 GSK3B (0.75) 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 3 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
US-6949547-B2 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2005-09-27 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.