SCHEMBL12953703

SCHEMBL12953703

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)C(c4ccccc4)C4CCCC4)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.55
▸ C3AR1 Q16581 5/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ CHRM3 P20309 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 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
SCHEMBL14301720 0.91 GSK3B (0.57) GSK3BC3AR1CHEK1CCNE1CDK2
SCHEMBL13118987 0.91 GSK3B (0.69) GSK3BCCNE1CDK2
SCHEMBL14545821 0.89 GSK3B (0.53) GSK3BC3AR1CHEK1CHRM3CCNE1
SCHEMBL14613316 0.87 GSK3B (0.55) GSK3BCHEK1MAPK1HTTCCNE1
SCHEMBL13289192 0.86 GSK3B (0.59) GSK3BCHEK1CCNE1CDK2
SCHEMBL13289048 0.85 GSK3B (0.59) GSK3BCHEK1CCNE1CDK2
SCHEMBL13289043 0.85 GSK3B (0.63) GSK3BCHEK1CCNE1CDK2
SCHEMBL13288831 0.85 GSK3B (0.59) GSK3BCHEK1CCNE1CDK2
SCHEMBL12954326 0.85 GSK3B (0.58) GSK3BCHEK1CCNE1CDK2
SCHEMBL14613296 0.84 GSK3B (0.54) 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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — 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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885C3AR1 3939/4885CHEK1 77/4885

“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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