SCHEMBL14418661

SCHEMBL14418661

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)Nc4cccc(ON)c4)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.54
▸ FAAH O00519 7/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CCNE1 P24864 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ SRC P12931 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
SCHEMBL13289230 0.93 GSK3B (0.52) GSK3BFAAHCHEK1MAPK1HTT
SCHEMBL14545900 0.90 GSK3B (0.55) GSK3BCHEK1MAPK1HTTCCNE1
SCHEMBL14043406 0.88 GSK3B (0.56) GSK3BFAAHCHEK1MAPK1HTT
SCHEMBL13305202 0.87 GSK3B (0.52) GSK3BFAAHCHEK1MAPK1HTT
SCHEMBL14043233 0.87 GSK3B (0.56) GSK3BCHEK1CCNE1CDK2
SCHEMBL12954095 0.86 GSK3B (0.54) GSK3BCHEK1MAPK1HTTCCNE1
SCHEMBL13289156 0.86 GSK3B (0.56) GSK3BFAAHCHEK1CCNE1CDK2
SCHEMBL13289498 0.86 GSK3B (0.56) GSK3BFAAHCHEK1CCNE1CDK2
SCHEMBL14545281 0.85 GSK3B (0.50) GSK3BFAAHCHEK1MAPK1HTT
SCHEMBL13121496 0.85 GSK3B (0.64) GSK3BCCNE1CDK2

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 749/4885FAAH 3859/4885CHEK1 58/4885

“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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