SCHEMBL14043165

SCHEMBL14043165

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)Cc4ccccc4)C3)nc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.56
▸ CHEK1 O14757 2/20 0.49
▸ MAP3K12 Q12852 1/20 0.46
▸ CDK2 P24941 5/20 0.44
▸ CCNE1 P24864 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ VNN1 O95497 1/20 0.42

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
SCHEMBL13288618 0.93 GSK3B (0.53) GSK3BCHEK1MAP3K12CDK2CCNE1
SCHEMBL13288831 0.91 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1KDM4E
SCHEMBL14301230 0.91 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1KDM4E
SCHEMBL13119103 0.91 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14418830 0.91 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1ALDH1A1
SCHEMBL14418925 0.90 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1CCNA2
SCHEMBL13304610 0.90 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1VNN1
SCHEMBL13304611 0.90 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1VNN1
SCHEMBL13305284 0.90 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1VNN1
SCHEMBL14418839 0.89 GSK3B (0.50) GSK3BCHEK1CDK2CCNE1KDM4E

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
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

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 695/4885CHEK1 60/4885MAP3K12 125/4885

“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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