SCHEMBL13764064

SCHEMBL13764064

COCCOc1cccc(-n2nnc3cnc(Nc4cccc(CNC(=O)OC(C)(C)C)c4)nc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 5/20 0.47
▸ GSK3B P49841 5/20 0.47
▸ BRD4 O60885 2/20 0.46
▸ AURKA O14965 3/20 0.46
▸ BTK Q06187 7/20 0.45
▸ EGFR P00533 8/20 0.44
▸ ITK Q08881 4/20 0.43
▸ SYK P43405 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL13764063 0.93 GSK3A (0.52) GSK3AGSK3BBRD4AURKABTK
SCHEMBL13764061 0.88 BRD4 (0.49) GSK3AGSK3BBRD4AURKABTK
SCHEMBL13303689 0.88 GSK3A (0.57) GSK3AGSK3BBRD4AURKABTK
SCHEMBL13764042 0.84 GSK3A (0.51) GSK3AGSK3BBRD4AURKAEGFR
SCHEMBL13303682 0.81 GSK3A (0.67) GSK3AGSK3BAURKABTKEGFR
SCHEMBL13764036 0.81 GSK3A (0.49) GSK3AGSK3BAURKABTKEGFR
SCHEMBL13764058 0.81 GSK3A (0.53) GSK3AGSK3BBRD4AURKAITK
SCHEMBL13764002 0.80 BRD4 (0.49) GSK3AGSK3BBRD4AURKABTK
SCHEMBL13763906 0.80 GSK3A (0.55) GSK3AGSK3BBRD4AURKABTK
SCHEMBL13763880 0.80 GSK3A (0.51) GSK3AGSK3BBRD4AURKABTK

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 1/4885BRD4 3613/4885

“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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