SCHEMBL3221395

SCHEMBL3221395

Cc1ncc(-c2nc(NC3CCC(NS(=O)(=O)CCN(C)C)C3)ncc2F)n1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.48
CDK1 P06493 7/20 0.46
KCNH2 Q12809 9/20 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
SCHEMBL3221388 1.00 CDK2 (0.48) CDK2CDK1KCNH2
SCHEMBL3221393 1.00 CDK2 (0.48) CDK2CDK1KCNH2
SCHEMBL3210812 0.87 CDK2 (0.48) CDK2CDK1KCNH2
SCHEMBL3210810 0.87 CDK2 (0.48) CDK2CDK1KCNH2
SCHEMBL3210816 0.87 CDK2 (0.48) CDK2CDK1KCNH2
SCHEMBL3227215 0.86 CDK2 (0.50) CDK2CDK1KCNH2
SCHEMBL3227221 0.86 CDK2 (0.50) CDK2CDK1KCNH2
SCHEMBL3227203 0.86 CDK2 (0.50) CDK2CDK1KCNH2
SCHEMBL4517199 0.84 CDK2 (0.49) CDK2CDK1KCNH2
SCHEMBL3214611 0.80 KCNH2 (0.52) CDK2CDK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US claimed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP claimed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 CDK2 3/4885CDK1 38/4885KCNH2 2260/4885

“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.