SCHEMBL13289858

SCHEMBL13289858

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C4CCCC4)CC3)nc12

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.68
▸ CHEK1 O14757 1/20 0.51
▸ CDK2 P24941 6/20 0.47
▸ CCNE1 P24864 3/20 0.47

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
SCHEMBL12954148 0.98 GSK3B (0.66) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954059 0.92 GSK3B (0.63) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954477 0.92 GSK3B (0.63) GSK3BCHEK1CDK2CCNE1
SCHEMBL13304869 0.92 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954526 0.91 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289374 0.91 GSK3B (0.64) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122098 0.90 GSK3B (0.84) GSK3BCDK2CCNE1
SCHEMBL13289370 0.90 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418853 0.90 GSK3B (0.67) GSK3BCHEK1CDK2CCNE1
SCHEMBL13146324 0.90 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
WO-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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 (2 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 695/4885CHEK1 60/4885CDK2 1/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885CHEK1 77/4885CDK2 1/4885

“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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