SCHEMBL13146282

SCHEMBL13146282

CCCNc1cc(-c2ccccc2F)nc2c(Br)cnn12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.73
▸ CDK2 P24941 9/20 0.70
▸ CCNA2 P20248 1/20 0.62
▸ CCNA1 P78396 1/20 0.62
▸ CCNE1 P24864 1/20 0.45
▸ MAPK14 Q16539 2/20 0.45

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
SCHEMBL13146723 0.94 GSK3B (0.70) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953835 0.87 GSK3B (0.73) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14043202 0.86 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953281 0.86 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953680 0.85 GSK3B (0.71) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13305408 0.85 GSK3B (0.74) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14418674 0.85 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953538 0.85 GSK3B (0.64) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13118479 0.84 GSK3B (1.00) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953525 0.84 GSK3B (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
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 1/4885CCNA2 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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