SCHEMBL6069291

SCHEMBL6069291

Nc1nc(NCCNCc2ccc([N+](=O)[O-])c(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.55
GSK3A P49840 3/20 0.55
CDK1 P06493 2/20 0.55
CCNB2 O95067 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
MAPT P10636 6/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 2/20 0.37
HSD11B1 P28845 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKCQ Q04759 3/20 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
SCHEMBL6069852 0.85 MAPT (0.56) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399102 0.83 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069123 0.80 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5100493 0.80 GSK3B (0.58) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099975 0.79 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4669938 0.78 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14175422 0.77 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5098978 0.77 GSK3B (0.63) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069591 0.77 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069007 0.77 GSK3B (0.53) 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.