SCHEMBL13763980

SCHEMBL13763980

CC(C)CC(=O)NCc1cccc(-n2nnc3cnc(Nc4cccc(NS(C)(=O)=O)c4)nc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 6/20 0.45
▸ GSK3B P49841 6/20 0.45
▸ AURKA O14965 4/20 0.45
▸ MAPK1 P28482 3/20 0.42
▸ PTK2 Q05397 3/20 0.38
▸ MET P08581 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ BRD4 O60885 4/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 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
SCHEMBL13763909 0.90 GSK3A (0.48) GSK3AGSK3BAURKAMAPK1PTK2
SCHEMBL13303691 0.90 GSK3A (0.58) GSK3AGSK3BAURKAMAPK1PTK2
SCHEMBL13763955 0.89 GSK3A (0.49) GSK3AGSK3BAURKAMAPK1PTK2
SCHEMBL13763978 0.88 AURKA (0.54) GSK3AGSK3BAURKAPTK2MAPK14
SCHEMBL13763979 0.87 GSK3A (0.47) GSK3AGSK3BAURKAMAPK1PTK2
SCHEMBL13763987 0.86 GSK3A (0.49) GSK3AGSK3BAURKAPTK2EIF2AK4
SCHEMBL13764003 0.86 AURKA (0.46) GSK3AGSK3BAURKAMAPK1BRD4
SCHEMBL8297236 0.86 GSK3A (0.45) GSK3AGSK3BAURKAMAPK1ALK
SCHEMBL13763976 0.86 GSK3A (0.46) GSK3AGSK3BAURKAPTK2EIF2AK4
SCHEMBL13763864 0.85 GSK3A (0.53) GSK3AGSK3BAURKAMAPK1BRD4

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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