SCHEMBL13764000

SCHEMBL13764000

C[S+]([O-])c1cccc(Nc2ncc3nnn(-c4cccc(CNC(=O)C5CC5)c4)c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 7/20 0.44
▸ GSK3B P49841 7/20 0.44
▸ AURKA O14965 4/20 0.44
▸ ALK Q9UM73 5/20 0.40
▸ TBK1 Q9UHD2 4/20 0.39
▸ MAPK6 Q16659 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ ULK1 O75385 1/20 0.36
▸ ULK2 Q8IYT8 1/20 0.36

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
SCHEMBL13303705 0.88 GSK3A (0.59) GSK3AGSK3BAURKAALKTBK1
SCHEMBL13764024 0.87 GSK3A (0.44) GSK3AGSK3BAURKAEIF2AK4
SCHEMBL13764008 0.86 GSK3A (0.45) GSK3AGSK3BAURKAMAPK6FLT3
SCHEMBL13763989 0.86 GSK3A (0.47) GSK3AGSK3BAURKAALKTBK1
SCHEMBL8297236 0.85 GSK3A (0.45) GSK3AGSK3BAURKAALKTBK1
SCHEMBL13763994 0.83 GSK3B (0.65) GSK3AGSK3BAURKAMAPK6JAK2
SCHEMBL13763998 0.83 GSK3A (0.49) GSK3AGSK3BAURKATBK1MAPK6
SCHEMBL13763992 0.83 GSK3A (0.54) GSK3AGSK3BAURKAMAPK6JAK2
SCHEMBL13763995 0.83 GSK3A (0.57) GSK3AGSK3BAURKAALKMAPK6
SCHEMBL13763996 0.83 GSK3A (0.57) GSK3AGSK3BAURKAALKTBK1

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-7560458-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 — — US disclosed
US-7560458-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 — — US disclosed
US-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors EDGARD EDDY JEAN 2009-02-05 — — US disclosed
US-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors EDGARD EDDY JEAN 2009-02-05 — — 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 (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-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 GSK3A 2/4885GSK3B 1/4885AURKA 173/4885

“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.

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