SCHEMBL14613378

SCHEMBL14613378

CCc1cnn2c(NCc3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc(-c3ccccc3O)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.47
▸ CDK2 P24941 13/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK1 P06493 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR39 O43194 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL14418865 0.78 GSK3B (0.41) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL14545881 0.74 GSK3B (0.40) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120728 0.73 CDK2 (0.69) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL14301598 0.73 GSK3B (0.66) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL12954196 0.73 GSK3B (0.50) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL14043231 0.73 GSK3B (0.50) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120758 0.73 CDK2 (0.68) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120756 0.73 CDK2 (0.65) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120701 0.73 CDK2 (0.65) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120705 0.71 CDK2 (0.65) GSK3BCDK2CCNE1CCNA2CCNA1

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-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.

Send feedback