SCHEMBL6069014

SCHEMBL6069014

CN1CCN(c2ccc(NCCNc3ccc([N+](=O)[O-])c(N)n3)cc2-c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.81
GSK3A P49840 3/20 0.81
CDK1 P06493 2/20 0.51
CCNB2 O95067 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD11B1 P28845 1/20 0.33
HTR6 P50406 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PAK4 O96013 1/20 0.32
PAK1 Q13153 1/20 0.32
PKN1 Q16512 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 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
SCHEMBL14554238 0.90 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069385 0.88 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909656 0.85 GSK3B (0.74) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL24393904 0.84 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29365958 0.84 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069123 0.81 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6212610 0.80 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069591 0.77 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069007 0.77 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4401599 0.77 GSK3B (0.85) 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 4 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
EP-1556355-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-07-27 EP disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 US disclosed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 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 (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.