SCHEMBL6794285

SCHEMBL6794285

CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 17/20 0.85
CDK2 P24941 17/20 0.85
CCNA1 P78396 17/20 0.85
CDK13 Q14004 3/20 0.75
CDK12 Q9NYV4 3/20 0.75
CDK7 P50613 2/20 0.75
CCNB2 O95067 2/20 0.73
CCNE2 O96020 2/20 0.73
CDK1 P06493 2/20 0.73
CCNB1 P14635 2/20 0.73
CCNE1 P24864 2/20 0.73
CDK5 Q00535 2/20 0.73
CDK5R1 Q15078 2/20 0.73
CCNB3 Q8WWL7 2/20 0.73

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
SCHEMBL6787750 0.92 CCNA2 (1.00) CCNA2CDK2CCNA1CDK13CDK12
SCHEMBL6783575 0.91 CCNA2 (0.98) CCNA2CDK2CCNA1CDK13CDK12
SCHEMBL6792230 0.90 CCNA2 (0.85) CCNA2CDK2CCNA1CDK13CDK12
SCHEMBL21435789 0.85 CDK13 (1.00) CCNA2CDK2CCNA1CDK13CDK12
SCHEMBL5867750 0.85 CCNA2 (0.76) CCNA2CDK2CCNA1CDK13CDK12
SCHEMBL6788809 0.84 CCNA2 (1.00) CCNA2CDK2CCNA1CCNB2CCNE2
SCHEMBL6787252 0.84 CCNA2 (1.00) CCNA2CDK2CCNA1CCNB2CCNE2
SCHEMBL6787970 0.84 CCNA2 (1.00) CCNA2CDK2CCNA1CCNB2CCNE2
SCHEMBL6783246 0.84 CCNA2 (0.76) CCNA2CDK2CCNA1CCNB2CCNE2
SCHEMBL21450648 0.84 CDK13 (0.77) CCNA2CDK2CCNA1CDK13CDK12

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 claimed
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
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 CCNA2 120/4885CDK2 3/4885CCNA1 65/4885

“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.