SCHEMBL14301598

SCHEMBL14301598

CCc1ccc(CNc2cc(-c3ccccc3O)nc3c(Br)cnn23)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.66
▸ CDK2 P24941 13/20 0.64
▸ CCNA2 P20248 1/20 0.57
▸ CCNA1 P78396 1/20 0.57
▸ CCNE1 P24864 5/20 0.53

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
SCHEMBL12954196 0.88 GSK3B (0.50) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954221 0.84 CDK2 (0.80) GSK3BCDK2CCNE1
SCHEMBL14301724 0.82 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14581650 0.82 GSK3B (0.59) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14043167 0.82 CDK2 (0.58) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14418690 0.82 CDK2 (0.60) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14613342 0.81 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14051045 0.81 GSK3B (0.58) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14581651 0.81 GSK3B (0.55) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13305586 0.80 CDK2 (0.81) GSK3BCDK2CCNA2CCNA1CCNE1

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-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 1/4885CCNA2 31/4885

“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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