SCHEMBL12954095

SCHEMBL12954095

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)Nc4ccc(F)c(F)c4)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.54
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CDK2 P24941 7/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CCNE1 P24864 5/20 0.40
▸ CDK9 P50750 1/20 0.39

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
SCHEMBL14043406 0.92 GSK3B (0.56) GSK3BCHEK1CDK2MAPK1HTT
SCHEMBL13121497 0.92 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13289498 0.91 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043233 0.90 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1CDK9
SCHEMBL13289156 0.89 GSK3B (0.56) GSK3BMEN1KMT2ACHEK1CDK2
SCHEMBL14613416 0.88 GSK3B (0.52) GSK3BCHEK1CDK2MAPK1HTT
SCHEMBL13289145 0.87 GSK3B (0.53) GSK3BMEN1MAPTKMT2ACHEK1
SCHEMBL13305202 0.86 GSK3B (0.52) GSK3BMEN1KMT2ACHEK1CDK2
SCHEMBL13289230 0.86 GSK3B (0.52) GSK3BMAPTCHEK1MAPK1HTT
SCHEMBL14418661 0.86 GSK3B (0.54) GSK3BCHEK1CDK2MAPK1HTT

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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — 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 937/4885MEN1 3389/4885MAPT 2944/4885

“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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