SCHEMBL4817291

SCHEMBL4817291

CCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3c(C)nc(C)n3CC)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.68
CDK4 P11802 7/20 0.63
IKBKB O14920 4/20 0.46
CDK1 P06493 2/20 0.46

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
SCHEMBL4820462 0.92 CDK2 (0.80) CDK2CDK4IKBKBCDK1
SCHEMBL4817051 0.89 CDK2 (0.72) CDK2CDK4IKBKBCDK1
SCHEMBL4823730 0.88 CDK2 (0.66) CDK2CDK4IKBKBCDK1
SCHEMBL5105028 0.86 CDK2 (0.85) CDK2CDK4CDK1
SCHEMBL4824463 0.85 CDK2 (0.58) CDK2CDK4IKBKBCDK1
SCHEMBL4821591 0.83 CDK2 (0.72) CDK2CDK4IKBKBCDK1
SCHEMBL4824472 0.82 CDK2 (0.63) CDK2CDK4IKBKBCDK1
SCHEMBL5108318 0.81 CDK2 (0.70) CDK2CDK4IKBKBCDK1
SCHEMBL5105457 0.81 CDK2 (0.83) CDK2CDK4CDK1
SCHEMBL6594955 0.81 CDK2 (1.00) CDK2CDK4IKBKBCDK1

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-7446105-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-11-04 US claimed
US-20050119291-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-06-02 US claimed

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-20050119291-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 CDK2 22/4885CDK4 47/4885IKBKB 1290/4885

“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.