SCHEMBL14607095

SCHEMBL14607095

C/C(=C\c1ccccc1C)C(=O)N1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.63
▸ CDK2 P24941 7/20 0.48
▸ CCNE1 P24864 4/20 0.48

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
SCHEMBL13119183 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12952884 0.88 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13121526 0.86 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13121521 0.86 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13121543 0.84 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL12952880 0.84 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12952868 0.84 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13119103 0.84 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13288630 0.84 GSK3B (0.55) GSK3BCDK2CCNE1
SCHEMBL12954388 0.84 GSK3B (0.75) GSK3BCDK2CCNE1

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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070054906-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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