SCHEMBL14418669

SCHEMBL14418669

CBc1cnn2c(NCc3cccnc3)cc(C3CCN(CC(C)c4ccccc4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.56
▸ CHEK1 O14757 1/20 0.46
▸ CDK2 P24941 2/20 0.43
▸ CCNE1 P24864 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
SCHEMBL14613385 0.94 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289590 0.89 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122026 0.89 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL13305560 0.82 GSK3B (0.65) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289369 0.82 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122078 0.82 GSK3B (0.75) GSK3BCDK2CCNE1
SCHEMBL13122144 0.81 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL14043346 0.80 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954066 0.79 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL14301719 0.76 GSK3B (0.54) GSK3BCHEK1CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 GSK3B 749/4885CHEK1 58/4885CDK2 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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