SCHEMBL12954098

SCHEMBL12954098

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)nc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.51
▸ VNN1 O95497 7/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CCNE1 P24864 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ GFER P55789 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 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
SCHEMBL13119185 0.92 GSK3B (0.63) GSK3BVNN1CCNE1CDK2
SCHEMBL14418927 0.92 GSK3B (0.51) GSK3BVNN1ALDH1A1TSHRCHEK1
SCHEMBL14418839 0.90 GSK3B (0.50) GSK3BVNN1ALDH1A1CHEK1CCNE1
SCHEMBL14051039 0.90 GSK3B (0.50) GSK3BVNN1ALDH1A1TSHRCHEK1
SCHEMBL14301571 0.89 GSK3B (0.53) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14607118 0.86 GSK3B (0.53) GSK3BALDH1A1CHEK1CCNE1CDK2
SCHEMBL14050918 0.86 GSK3B (0.55) GSK3BVNN1ALDH1A1CHEK1CCNE1
SCHEMBL12953930 0.85 GSK3B (0.51) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14301228 0.85 GSK3B (0.53) GSK3BVNN1CHEK1CCNE1CDK2
SCHEMBL14545254 0.85 GSK3B (0.51) GSK3BVNN1CHEK1CCNE1CDK2

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 5 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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US 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 (3 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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885VNN1 3825/4885ALDH1A1 2851/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A GSK3B 937/4885VNN1 2461/4885ALDH1A1 1299/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885VNN1 3825/4885ALDH1A1 2851/4885

“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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