SCHEMBL5098665

SCHEMBL5098665

CCCn1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOCC)cc3)n2)cnc1CCl

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.61
CDK4 P11802 6/20 0.61
CDK1 P06493 2/20 0.50
IKBKB O14920 2/20 0.43

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
SCHEMBL5098657 0.93 CDK2 (0.72) CDK2CDK4CDK1IKBKB
SCHEMBL5098801 0.91 CDK2 (0.60) CDK2CDK4CDK1IKBKB
SCHEMBL5098655 0.90 CDK2 (0.59) CDK2CDK4CDK1IKBKB
SCHEMBL5098684 0.90 CDK2 (0.59) CDK2CDK4CDK1IKBKB
SCHEMBL5098806 0.90 CDK2 (0.59) CDK2CDK4CDK1IKBKB
SCHEMBL6416354 0.89 CDK2 (0.74) CDK2CDK4CDK1
SCHEMBL5095326 0.89 CDK2 (0.62) CDK2CDK4CDK1
SCHEMBL5108318 0.86 CDK2 (0.70) CDK2CDK4CDK1IKBKB
SCHEMBL5915726 0.86 CDK2 (0.66) CDK2CDK4CDK1IKBKB
SCHEMBL5108642 0.85 CDK2 (0.66) CDK2CDK4CDK1

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-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 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-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity CCNI, CDK3, CDK4 CDK2 6/4885CDK4 3/4885CDK1 4/4885

“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.