SCHEMBL7249647

SCHEMBL7249647

Cc1c[nH]c(-c2ccc(NCCNc3ccc(C(F)(F)F)cn3)nc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.45
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
GSK3A P49840 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
LIMK1 P53667 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
SLK Q9H2G2 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
METAP1 P53582 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 2/20 0.37
DPP4 P27487 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 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
SCHEMBL6099882 0.91 GSK3B (0.56) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5094501 0.89 GSK3B (0.40) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5099865 0.87 GSK3B (0.42) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7250593 0.86 GSK3B (0.57) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4404427 0.84 GSK3B (0.64) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7250595 0.82 GSK3B (0.64) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL14079133 0.80 NR2E1 (0.41) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4395874 0.78 GSK3B (0.70) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5089069 0.76 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL240280 0.76 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A

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 1/4885CCNB2 1150/4885CDK1 7/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GSK3B 1/4885CCNB2 1241/4885CDK1 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.