SCHEMBL14572802

SCHEMBL14572802

CCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.71
CDK2 P24941 9/20 0.68
CCNA2 P20248 1/20 0.46
CCNA1 P78396 1/20 0.46
CCNE1 P24864 1/20 0.44

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
SCHEMBL14572818 0.96 GSK3B (0.68) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953835 0.94 GSK3B (0.73) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13121800 0.92 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13122654 0.92 GSK3B (0.63) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953582 0.91 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953982 0.91 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13121861 0.91 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953725 0.89 CDK2 (0.68) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954262 0.89 CDK2 (0.68) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13122691 0.89 GSK3B (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 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 (3 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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CCNA2 31/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885CDK2 1/4885CCNA2 50/4885
US-20070054906-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.