SCHEMBL14346558

SCHEMBL14346558

Cn1cc(CNc2cc(N[C@H]3CCCC[C@H]3COC(=O)CN)nc3c(Br)cnn23)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.39
▸ CDK7 P50613 2/20 0.38
▸ CDK2 P24941 7/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CCNH P51946 1/20 0.37
▸ MNAT1 P51948 1/20 0.37
▸ CDK9 P50750 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ TTK P33981 1/20 0.33

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
SCHEMBL14346178 0.91 CDK2 (0.44) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14346391 0.91 CDK2 (0.44) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14364519 0.91 CDK7 (0.40) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14346508 0.91 CDK7 (0.40) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14346162 0.90 CDK2 (0.40) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14346165 0.90 CDK2 (0.40) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14346561 0.90 CDK2 (0.40) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14364520 0.90 CDK2 (0.40) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14346499 0.87 GSK3B (0.43) GSK3BCDK7CDK2CCNE1CCNH
SCHEMBL14364537 0.84 CDK2 (0.50) GSK3BCDK7CDK2CCNE1CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007139732-A1 PYRAZOLO [1, 5-A] PYRIMIDINES AS CDK INHIBITORS SCHERING CORPORATION (US) 2007-12-06 — — WO disclosed
US-20070275963-A1 PYRAZOLO[1,5-a]PYRIMIDINES SCHERING CORPORATION 2007-11-29 — — US disclosed
US-20070275963-A1 PYRAZOLO[1,5-a]PYRIMIDINES SCHERING CORPORATION 2007-11-29 — — 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-20070275963-A1 PYRAZOLO[1,5-a]PYRIMIDINES CDK2, CDKN1A, CDK1 GSK3B 1207/4885CDK7 11/4885CDK2 1/4885

“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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