SCHEMBL14418690

SCHEMBL14418690

O=C(NCc1ccc(CNc2cc(-c3ccccc3O)nc3c(Br)cnn23)cc1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.60
▸ GSK3B P49841 6/20 0.57
▸ CCNE1 P24864 7/20 0.49
▸ CCNA2 P20248 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL13119430 0.92 CDK2 (0.72) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119302 0.87 CDK2 (0.67) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119536 0.85 CDK2 (0.70) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14581650 0.84 GSK3B (0.59) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14581651 0.83 GSK3B (0.55) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14301598 0.82 GSK3B (0.66) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119676 0.81 CDK2 (0.65) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14301724 0.81 GSK3B (0.57) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14043167 0.81 CDK2 (0.58) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13120274 0.80 CDK2 (0.62) CDK2GSK3BCCNA2CCNA1KMT2A

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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CDK2 1/4885GSK3B 749/4885CCNE1 37/4885

“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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