SCHEMBL13118149

SCHEMBL13118149

Oc1cc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)ccn1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.77
▸ GSK3B P49841 7/20 0.70
▸ CCNE1 P24864 8/20 0.67

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
SCHEMBL12953491 0.87 CDK2 (1.00) CDK2GSK3BCCNE1
SCHEMBL12954111 0.86 CDK2 (0.74) CDK2GSK3BCCNE1
SCHEMBL12953207 0.86 CDK2 (0.79) CDK2GSK3BCCNE1
SCHEMBL12953189 0.86 GSK3B (0.71) CDK2GSK3BCCNE1
SCHEMBL12953191 0.84 CDK2 (0.82) CDK2GSK3BCCNE1
SCHEMBL12952859 0.82 GSK3B (1.00) CDK2GSK3BCCNE1
SCHEMBL30263731 0.82 GSK3B (1.00) CDK2GSK3BCCNE1
SCHEMBL12953598 0.82 CDK2 (0.78) CDK2GSK3BCCNE1
SCHEMBL12953036 0.82 CDK2 (0.74) CDK2GSK3BCCNE1
SCHEMBL12953157 0.82 CDK2 (0.81) CDK2GSK3BCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070054906-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
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 (2 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 CDK2 1/4885GSK3B 937/4885CCNE1 40/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885CCNE1 37/4885

“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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