SCHEMBL13288837

SCHEMBL13288837

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)c4ccco4)CC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.57
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ VNN1 O95497 1/20 0.43
▸ CCNE1 P24864 5/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 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
SCHEMBL14050918 0.92 GSK3B (0.55) GSK3BKDM4EALDH1A1TDP1NAMPT
SCHEMBL13118846 0.91 GSK3B (0.72) GSK3BCCNE1CDK2
SCHEMBL13289048 0.89 GSK3B (0.59) GSK3BALDH1A1CHEK1VNN1CCNE1
SCHEMBL13288640 0.88 GSK3B (0.53) GSK3BALDH1A1CHEK1CCNE1CDK2
SCHEMBL13305370 0.88 GSK3B (0.61) GSK3BCHEK1VNN1CCNE1CDK2
SCHEMBL12953848 0.88 GSK3B (0.61) GSK3BCHEK1CCNE1CDK2
SCHEMBL13288814 0.88 GSK3B (0.61) GSK3BCHEK1CCNE1CDK2
SCHEMBL13288839 0.87 GSK3B (0.56) GSK3BCHEK1VNN1CCNE1CDK2
SCHEMBL13288637 0.87 GSK3B (0.56) GSK3BKDM4EALDH1A1CHEK1VNN1
SCHEMBL13289050 0.86 GSK3B (0.58) GSK3BCHEK1CCNE1CDK2

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 GSK3B 749/4885KDM4E 549/4885ALDH1A1 2518/4885

“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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