SCHEMBL13146697

SCHEMBL13146697

CCc1cnn2c(NCc3cnc(O)nc3)cc(-c3ccccc3)nc12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.71
▸ CDK2 P24941 11/20 0.60
▸ CCNE1 P24864 9/20 0.60
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AHR P35869 1/20 0.43

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
SCHEMBL27370878 0.90 GSK3B (0.72) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953359 0.88 GSK3B (0.69) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953189 0.87 GSK3B (0.71) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL27369472 0.87 GSK3B (0.76) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12954111 0.85 CDK2 (0.74) GSK3BCDK2CCNE1
SCHEMBL27370456 0.84 GSK3B (0.69) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953029 0.83 GSK3B (1.00) GSK3BCDK2CCNE1
SCHEMBL30356813 0.82 GSK3B (0.70) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953181 0.80 GSK3B (0.64) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12954514 0.78 GSK3B (0.61) GSK3BCDK2CCNE1MEN1NPC1

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-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CCNE1 37/4885

“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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