SCHEMBL14364530

SCHEMBL14364530

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCOC(=O)[C@@H](N)C(C)C)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.76
CDK9 P50750 8/20 0.76
CCNE1 P24864 7/20 0.76
CDK5 Q00535 5/20 0.76
CDK1 P06493 5/20 0.76
CDK7 P50613 5/20 0.76
GSK3B P49841 4/20 0.76
CDK12 Q9NYV4 3/20 0.76
CCNH P51946 3/20 0.76
MNAT1 P51948 3/20 0.76
GSK3A P49840 2/20 0.76
TAOK1 Q7L7X3 2/20 0.76
CCNT1 O60563 2/20 0.76
CCNK O75909 2/20 0.76
CDK13 Q14004 2/20 0.76
CCNA2 P20248 2/20 0.76
CCNA1 P78396 2/20 0.76
CCNT2 O60583 1/20 0.76
BRD4 O60885 1/20 0.76
CCNB2 O95067 1/20 0.76

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
SCHEMBL14364531 1.00 CDK2 (0.76) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14364529 0.95 CDK2 (0.78) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14346562 0.95 CDK2 (0.78) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14364527 0.92 CDK2 (0.64) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14346183 0.92 CDK2 (0.64) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14364528 0.92 CDK2 (0.64) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14346166 0.90 CDK2 (0.79) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14346157 0.88 CDK2 (0.57) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL14364518 0.88 CDK2 (0.57) CDK2CDK9CCNE1CDK5CDK1
SCHEMBL16366036 0.88 CDK2 (0.84) CDK2CDK9CCNE1CDK5CDK1

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
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 CDK2 1/4885CDK9 8/4885CCNE1 39/4885

“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.