SCHEMBL13289610

SCHEMBL13289610

Bc1cnn2c(NCc3cccnc3)cc(NCC3CCCCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.56
▸ CDK2 P24941 6/20 0.51
▸ CCNE1 P24864 3/20 0.51
▸ CDK7 P50613 2/20 0.51
▸ CCNH P51946 2/20 0.51
▸ MNAT1 P51948 2/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CHEK1 O14757 1/20 0.45
▸ MAPKAPK2 P49137 1/20 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
SCHEMBL12954504 0.95 GSK3B (0.56) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL13122727 0.89 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL14546032 0.89 GSK3B (0.56) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL14545294 0.87 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13290030 0.85 GSK3B (0.50) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL12954560 0.85 GSK3B (0.56) GSK3BCDK2CCNE1CHEK1MAPKAPK2
SCHEMBL14545868 0.83 GSK3B (0.58) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL12953997 0.83 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13304881 0.83 GSK3B (0.52) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL13304869 0.82 GSK3B (0.77) GSK3BCDK2CCNE1CHEK1

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-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 937/4885CDK2 1/4885CCNE1 40/4885

“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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