SCHEMBL14418865

SCHEMBL14418865

Cc1cnn2c(NCc3cccc(CNS(=O)(=O)c4ccccc4N)c3)cc(-c3ccccc3O)nc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.41
▸ NPY5R Q15761 1/20 0.39
▸ CDK2 P24941 12/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCNE1 P24864 5/20 0.37
▸ NSD2 O96028 1/20 0.36

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
SCHEMBL14581371 0.88 GSK3B (0.46) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14301243 0.83 GSK3B (0.48) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14545984 0.83 CDK2 (0.49) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14418864 0.83 CYP19A1 (0.41) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14545881 0.81 GSK3B (0.40) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14545978 0.80 GSK3B (0.47) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14043231 0.80 GSK3B (0.50) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14613378 0.78 GSK3B (0.47) GSK3BNPY5RCDK2CCNA2CCNA1
SCHEMBL13289430 0.76 GSK3B (0.49) GSK3BNPY5RCDK2CCNA2CCNA1
SCHEMBL13120623 0.76 CDK2 (0.63) GSK3BCDK2CCNA2CCNA1CCNE1

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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 GSK3B 749/4885NPY5R 3096/4885CDK2 1/4885

“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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