SCHEMBL13925826

SCHEMBL13925826

N#Cc1ccc(C2N=Nc3cnc(Nc4cccc(C(N)=O)c4)nc32)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 1/20 0.41
▸ XDH P47989 4/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ SYK P43405 3/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ ADORA1 P30542 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
SCHEMBL5039537 0.77 EGFR (0.48) PPIAEGFRERBB2SYKSIRT2
SCHEMBL13763843 0.75 GSK3A (0.47) PPIAXDHEGFRERBB2SYK
SCHEMBL5546967 0.70 XDH (0.52) XDH
SCHEMBL5545433 0.69 XDH (0.48) PPIAXDH
SCHEMBL5550158 0.69 XDH (0.51) PPIAXDH
SCHEMBL5046278 0.69 CDK19 (0.53) PPIASYKSIRT2SIRT1SIRT3
SCHEMBL5039422 0.67 PPIA (0.53) PPIASYK
SCHEMBL6024058 0.67 AURKA (0.50) PPIA
SCHEMBL5545418 0.66 PPIA (0.49) PPIAEGFRERBB2SIRT2
SCHEMBL5544745 0.65 XDH (0.49) PPIAXDHEGFRERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPIA 3692/4885XDH 189/4885EGFR 1841/4885

“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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