SCHEMBL12954367

SCHEMBL12954367

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C4CCC(c5ccccc5)CC4)C3)nc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.58
▸ CHEK1 O14757 1/20 0.47
▸ TRPV6 Q9H1D0 3/20 0.45
▸ CDK2 P24941 6/20 0.45
▸ CCNE1 P24864 2/20 0.45

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
SCHEMBL13122213 0.92 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL14418853 0.91 GSK3B (0.67) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289374 0.91 GSK3B (0.64) GSK3BCHEK1TRPV6CDK2CCNE1
SCHEMBL12954244 0.89 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043194 0.84 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13304869 0.83 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1
SCHEMBL13146324 0.83 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122203 0.83 GSK3B (0.80) GSK3BCDK2CCNE1
SCHEMBL12954242 0.83 GSK3B (0.77) GSK3BCDK2CCNE1
SCHEMBL13289858 0.83 GSK3B (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — 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 749/4885CHEK1 58/4885TRPV6 4214/4885

“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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