SCHEMBL13288870

SCHEMBL13288870

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.56
▸ CCNE1 P24864 6/20 0.51
▸ CDK2 P24941 6/20 0.51
▸ NAMPT P43490 2/20 0.49
▸ CHEK1 O14757 1/20 0.46

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
SCHEMBL13289097 0.95 GSK3B (0.59) GSK3BCCNE1CDK2NAMPTCHEK1
SCHEMBL14307166 0.94 GSK3B (0.56) GSK3BCCNE1CDK2NAMPTCHEK1
SCHEMBL12954475 0.93 GSK3B (0.58) GSK3BNAMPTCHEK1
SCHEMBL12954082 0.92 GSK3B (0.53) GSK3BCCNE1CDK2NAMPTCHEK1
SCHEMBL14545841 0.92 GSK3B (0.56) GSK3BNAMPTCHEK1
SCHEMBL13289378 0.91 GSK3B (0.53) GSK3BCCNE1CDK2NAMPTCHEK1
SCHEMBL13120561 0.91 GSK3B (0.70) GSK3BCCNE1CDK2
SCHEMBL14607249 0.90 GSK3B (0.55) GSK3BCDK2NAMPTCHEK1
SCHEMBL14418840 0.89 GSK3B (0.53) GSK3BCDK2NAMPTCHEK1
SCHEMBL13289101 0.88 GSK3B (0.56) GSK3BCCNE1CDK2NAMPTCHEK1

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 749/4885CCNE1 37/4885CDK2 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.

Send feedback