SCHEMBL7250595

SCHEMBL7250595

Cc1c[nH]c(-c2ccc(NCCNc3ccc([N+](=O)[O-])cn3)nc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.64
GSK3A P49840 4/20 0.49
CDK1 P06493 3/20 0.49
CCNB2 O95067 2/20 0.49
CCNB1 P14635 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
LIMK1 P53667 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
SLK Q9H2G2 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42

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
SCHEMBL4393579 0.92 GSK3B (0.78) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL5089070 0.91 GSK3B (0.77) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5095047 0.89 GSK3B (0.58) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7850999 0.88 GSK3B (0.54) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5099039 0.87 GSK3B (0.62) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6084866 0.86 GSK3B (0.84) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4393590 0.86 GSK3B (0.84) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4970968 0.85 GSK3B (0.57) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4399097 0.84 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7851001 0.83 GSK3B (0.49) 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 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 (2 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 7/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885GSK3A 2/4885CDK1 7/4885

“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.