SCHEMBL13763928

SCHEMBL13763928

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.58
▸ GSK3A P49840 6/20 0.58
▸ GSK3B P49841 6/20 0.58
▸ EGFR P00533 2/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ RHOA P61586 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PDE8A O60658 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ PRKCA P17252 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
SCHEMBL8296998 0.97 GSK3A (0.58) AURKAGSK3AGSK3BEGFRFGFR1
SCHEMBL13763911 0.94 GSK3A (0.52) AURKAGSK3AGSK3BEGFRSYK
SCHEMBL13763906 0.93 GSK3A (0.55) AURKAGSK3AGSK3BEGFRSYK
SCHEMBL13763926 0.92 GSK3B (0.69) AURKAGSK3AGSK3BEGFRSYK
SCHEMBL13303700 0.92 GSK3A (0.63) AURKAGSK3AGSK3BEGFRSYK
SCHEMBL13763857 0.90 GSK3A (0.63) AURKAGSK3AGSK3BEGFRSYK
SCHEMBL13763910 0.90 GSK3A (0.52) AURKAGSK3AGSK3BEGFRFGFR1
SCHEMBL13763908 0.90 GSK3A (0.52) AURKAGSK3AGSK3BEGFRSYK
SCHEMBL13764001 0.89 GSK3A (0.54) AURKAGSK3AGSK3BEGFRFGFR1
SCHEMBL13763978 0.89 AURKA (0.54) AURKAGSK3AGSK3BEGFRFGFR1

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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