SCHEMBL14364541

SCHEMBL14364541

CC(C)[C@@H](N)C(=O)OC[C@@H]1CCCC[C@@H]1Nc1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ CDK5 Q00535 7/20 0.48
▸ CDK1 P06493 6/20 0.48
▸ CCNA2 P20248 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ GSK3B P49841 10/20 0.44
▸ CDK7 P50613 6/20 0.44
▸ CCNE1 P24864 5/20 0.44
▸ CCNH P51946 4/20 0.44
▸ MNAT1 P51948 4/20 0.44
▸ CDK4 P11802 3/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ TAOK1 Q7L7X3 2/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CCNT2 O60583 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ CCNK O75909 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
SCHEMBL14364540 1.00 CDK2 (0.48) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14364539 0.95 CDK2 (0.49) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14364538 0.95 CDK2 (0.49) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14364550 0.92 CDK2 (0.58) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14364547 0.92 CDK2 (0.58) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14346390 0.92 CDK2 (0.42) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14364537 0.89 CDK2 (0.50) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14346541 0.87 CDK7 (0.43) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14346154 0.87 CDK7 (0.43) CDK2CDK9CDK5CDK1CCNA2
SCHEMBL14364545 0.86 CDK2 (0.59) CDK2CDK9CDK5CDK1CCNA2

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-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 CDK2 1/4885CDK9 8/4885CDK5 5/4885

“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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