SCHEMBL13289363

SCHEMBL13289363

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)CCC)CC3)nc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.58
▸ ALDH1A1 P00352 2/20 0.51
▸ CHEK1 O14757 1/20 0.47
▸ CDK2 P24941 4/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL13289362 0.95 GSK3B (0.61) GSK3BALDH1A1CHEK1CDK2CCNE1
SCHEMBL13120503 0.90 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13305374 0.90 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL13304974 0.88 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13304920 0.88 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289097 0.86 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1TSHR
SCHEMBL14545841 0.86 GSK3B (0.56) GSK3BCHEK1CYP2C9CYP2C19
SCHEMBL12954475 0.85 GSK3B (0.58) GSK3BCHEK1CYP2C9CYP2C19TSHR
SCHEMBL14545270 0.85 GSK3B (0.67) GSK3BCHEK1CDK2CCNE1
SCHEMBL13146324 0.85 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP 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 (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 937/4885ALDH1A1 1299/4885CHEK1 77/4885

“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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