SCHEMBL14613487

SCHEMBL14613487

Cc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4cccs4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.56
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CHEK1 O14757 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL14545844 0.91 GSK3B (0.53) GSK3BMAPTTSHRCHEK1CDK2
SCHEMBL13120500 0.91 GSK3B (0.71) GSK3BMAPTTSHRCDK2
SCHEMBL12954467 0.91 GSK3B (0.56) GSK3BMAPTTSHRCHEK1PKM
SCHEMBL13304919 0.88 GSK3B (0.62) GSK3BCHEK1CDK2
SCHEMBL14418828 0.87 GSK3B (0.57) GSK3BCHEK1CDK2KMT2A
SCHEMBL14418829 0.85 GSK3B (0.56) GSK3BCHEK1CDK2
SCHEMBL14545273 0.82 GSK3B (0.52) GSK3BCHEK1CDK2KMT2A
SCHEMBL13120569 0.82 GSK3B (0.66) GSK3BMAPTTSHRCDK2
SCHEMBL13120575 0.81 GSK3B (0.70) GSK3BCDK2
SCHEMBL13289009 0.81 GSK3B (0.56) GSK3BCHEK1PKMCDK2

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 937/4885MAPT 2944/4885TSHR 4071/4885

“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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