SCHEMBL6069366

SCHEMBL6069366

CNCCNc1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.46
GSK3A P49840 3/20 0.46
CDK1 P06493 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
HRH3 Q9Y5N1 1/20 0.39
KAT2B Q92831 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8099294 0.87 GSK3B (0.44) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL8040592 0.85 KAT2B (0.52) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669978 0.85 MAPT (0.46) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27611246 0.84 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL3603901 0.84 MAPT (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL15971839 0.83 TXNRD1 (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270164 0.83 PGK1 (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL15972357 0.83 HRH3 (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL3612965 0.82 POLB (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL3612966 0.82 POLB (0.43) 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-6989382-B2 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-01-24 US disclosed
CN-1717391-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2006-01-04 CN disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 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-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CDK1 20/4885

“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.