SCHEMBL14607248

SCHEMBL14607248

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4ccccc4Cl)C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.53
▸ CDK2 P24941 3/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CCNE1 P24864 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL14301576 0.95 GSK3B (0.52) GSK3BCDK2CHEK1LMNAUSP2
SCHEMBL14301574 0.93 GSK3B (0.51) GSK3BCDK2CHEK1LMNAUSP2
SCHEMBL14301575 0.92 GSK3B (0.53) GSK3BCDK2CHEK1LMNAUSP2
SCHEMBL13289104 0.92 GSK3B (0.56) GSK3BCDK2CHEK1LMNASMN1; SMN2
SCHEMBL14418841 0.91 GSK3B (0.53) GSK3BCDK2CHEK1LMNAALDH1A1
SCHEMBL14418705 0.91 GSK3B (0.53) GSK3BCDK2CHEK1SMN1; SMN2KMT2A
SCHEMBL14545843 0.91 GSK3B (0.53) GSK3BCDK2CHEK1LMNAUSP2
SCHEMBL12954252 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL14546002 0.90 GSK3B (0.53) GSK3BCDK2CHEK1LMNAUSP2
SCHEMBL14301572 0.89 GSK3B (0.52) GSK3BCDK2CHEK1LMNAUSP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885CDK2 1/4885CHEK1 60/4885

“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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