SCHEMBL13764003

SCHEMBL13764003

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.46
▸ GSK3A P49840 6/20 0.46
▸ GSK3B P49841 6/20 0.46
▸ BRD4 O60885 3/20 0.45
▸ AURKB Q96GD4 4/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ EIF2AK4 Q9P2K8 2/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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) AURKAGSK3AGSK3BBRD4MAPK1
SCHEMBL13303707 0.90 GSK3A (0.58) AURKAGSK3AGSK3BBRD4MAPK1
SCHEMBL8297172 0.88 BRD4 (0.48) AURKAGSK3AGSK3BBRD4EIF2AK4
SCHEMBL13763955 0.88 GSK3A (0.49) AURKAGSK3AGSK3BMAPK1EIF2AK4
SCHEMBL13764002 0.88 BRD4 (0.49) AURKAGSK3AGSK3BBRD4MAPK1
SCHEMBL13764001 0.88 GSK3A (0.54) AURKAGSK3AGSK3BBRD4EIF2AK4
SCHEMBL8297236 0.86 GSK3A (0.45) AURKAGSK3AGSK3BBRD4MAPK1
SCHEMBL13763801 0.86 GSK3A (0.47) AURKAGSK3AGSK3BBRD4EIF2AK4
SCHEMBL13763980 0.86 GSK3A (0.45) AURKAGSK3AGSK3BBRD4MAPK1
SCHEMBL13764008 0.85 GSK3A (0.45) AURKAGSK3AGSK3BBRD4MAPK1

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 AURKA 173/4885GSK3A 2/4885GSK3B 1/4885

“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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