SCHEMBL6787254

SCHEMBL6787254

Nc1ccc(CC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.72
CDK5 Q00535 4/20 0.72
CDK9 P50750 3/20 0.72
CCNE1 P24864 3/20 0.72
CDK5R1 Q15078 3/20 0.72
CCNA2 P20248 13/20 0.71
CCNA1 P78396 13/20 0.71
CCNB2 O95067 1/20 0.64
CCNE2 O96020 1/20 0.64
CDK1 P06493 1/20 0.64
CCNB1 P14635 1/20 0.64
CCNB3 Q8WWL7 1/20 0.64
CCNT1 O60563 1/20 0.60

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
SCHEMBL6789224 0.98 CDK2 (0.76) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6787582 0.95 CDK2 (0.78) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5867792 0.92 CDK2 (0.81) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6385145 0.88 CDK2 (0.90) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6390935 0.87 CDK2 (0.71) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6386478 0.87 CDK2 (0.88) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL6386188 0.87 CDK2 (0.81) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL25649664 0.86 CDK2 (0.78) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5868284 0.85 CDK2 (0.78) CDK2CDK5CDK9CCNE1CDK5R1
SCHEMBL5867845 0.84 CDK2 (0.79) 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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
US-6455559-B1 Phenylacetamido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-09-24 US disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 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 (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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 CDK2 3/4885CDK5 16/4885CDK9 49/4885

“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.