SCHEMBL14613394

SCHEMBL14613394

CNc1cc(-c2ccccc2CI)nc2c(Br)cnn12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.69
▸ CDK2 P24941 10/20 0.50
▸ CCNA2 P20248 2/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ CCNE1 P24864 3/20 0.42
▸ CHEK1 O14757 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
SCHEMBL14418674 0.87 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14418798 0.86 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14581996 0.84 GSK3B (0.49) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13305408 0.82 GSK3B (0.74) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954267 0.82 GSK3B (1.00) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14607083 0.82 CDK2 (0.62) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14418683 0.80 GSK3B (0.76) GSK3BCDK2CCNE1
SCHEMBL14545168 0.80 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14613266 0.77 GSK3B (0.44) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13122698 0.72 GSK3B (0.77) 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-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 1/4885CCNA2 50/4885

“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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