SCHEMBL14301727

SCHEMBL14301727

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(Cc4cccc(Cc5ccccc5)c4)C3)nc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.55
▸ CHEK1 O14757 2/20 0.47
▸ CDK2 P24941 6/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ PDE2A O00408 2/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41

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
SCHEMBL14301722 0.92 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14418671 0.91 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14613386 0.91 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14545902 0.90 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL12954057 0.90 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14301734 0.88 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14613420 0.88 GSK3B (0.54) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL14301721 0.88 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14418660 0.88 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1PDE2A
SCHEMBL14043194 0.87 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1CCNA2

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 2 patents. 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
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 (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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CHEK1 60/4885CDK2 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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