SCHEMBL3219796

SCHEMBL3219796

Cc1ncc(-c2ccnc(NC3CCCC(NS(C)(=O)=O)C3)n2)n1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.55
CDK1 P06493 5/20 0.55
KCNH2 Q12809 4/20 0.55
MAPK9 P45984 4/20 0.55
CDK4 P11802 4/20 0.55
MAPK8 P45983 3/20 0.55
CCNT1 O60563 1/20 0.55
CCNB1 P14635 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CCNE1 P24864 1/20 0.55
CCND3 P30281 1/20 0.55
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55

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
SCHEMBL3219960 0.90 MAPK9 (0.62) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL3226725 0.90 MAPK9 (0.62) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL3225468 0.85 CDK2 (0.49) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL3225412 0.84 CDK2 (0.52) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL3221460 0.84 CDK2 (0.54) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL3220132 0.83 CDK2 (0.56) CDK2CDK1KCNH2MAPK9CDK4
Lithium Ion SCHEMBL3220139 0.82 CDK2 (0.55) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL4496303 0.82 KCNH2 (0.59) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL4507252 0.82 KCNH2 (0.59) CDK2CDK1KCNH2MAPK9CDK4
SCHEMBL3225094 0.82 CDK2 (0.55) CDK2CDK1KCNH2MAPK9CDK4

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 1 patent. 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 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-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.