SCHEMBL5023322

SCHEMBL5023322

Cn1ccnc1-c1cnc(NCCNc2ccc(C(F)(F)F)cn2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
CDK1 P06493 3/20 0.50
GSK3A P49840 3/20 0.50
CCNB2 O95067 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
LIMK1 P53667 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
SLK Q9H2G2 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
CSNK1G1 Q9HCP0 1/20 0.50
HCRTR1 O43613 8/20 0.42
METAP1 P53582 1/20 0.40
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HCRTR2 O43614 2/20 0.35
ROS1 P08922 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
SCHEMBL14097054 0.87 GSK3B (0.52) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5091642 0.87 HCRTR1 (0.42) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5099290 0.85 GSK3B (0.70) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4400391 0.83 GSK3B (0.70) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4395874 0.82 GSK3B (0.70) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL6099882 0.81 GSK3B (0.56) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7250164 0.79 GSK3B (0.51) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4400232 0.78 GSK3B (0.71) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7022122 0.77 GSK3B (0.59) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7249260 0.74 GSK3B (0.60) GSK3BCDK1GSK3ACCNB2CCNB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065065-A9 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-10-11 WO disclosed
WO-2012065065-A1 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-05-18 WO disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
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 1/4885CDK1 7/4885GSK3A 2/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885CDK1 7/4885GSK3A 2/4885

“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.