SCHEMBL6387175

SCHEMBL6387175

COc1ccc(CC(=O)Nc2cc(C3CCC3)[nH]n2)cc1O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.74
CDK5 Q00535 4/20 0.74
CDK9 P50750 3/20 0.74
CCNE1 P24864 5/20 0.73
CDK5R1 Q15078 3/20 0.73
CCNT1 O60563 1/20 0.73
CCNA2 P20248 12/20 0.64
CCNA1 P78396 12/20 0.64
CCNB2 O95067 1/20 0.61
CCNE2 O96020 1/20 0.61
CDK1 P06493 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNB3 Q8WWL7 1/20 0.61
GSK3B P49841 2/20 0.53

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
SCHEMBL5867751 0.88 CDK2 (0.69) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5867369 0.84 CDK2 (0.68) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6385624 0.84 CDK2 (1.00) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5867666 0.82 CDK2 (0.72) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5868090 0.82 CDK2 (0.72) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL25649664 0.82 CDK2 (0.78) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL25225939 0.81 CDK2 (0.91) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6386188 0.80 CDK2 (0.81) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5867462 0.80 CDK2 (0.67) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5867817 0.80 CDK2 (0.66) CDK2CDK5CDK9CCNE1CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US disclosed
EP-1313710-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Pfizer Products Inc. (US) 2003-05-28 EP disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US disclosed
WO-2002018346-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-03-07 WO 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 (2 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 CDK2 7/4885CDK5 3/4885CDK9 58/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 CDK2 5/4885CDK5 2/4885CDK9 57/4885

“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.