SCHEMBL4248546

SCHEMBL4248546

Cc1ncc(C=CC(=O)N(C)C)n1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.37
KCNH2 Q12809 9/20 0.37
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
MET P08581 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
NR4A2 P43354 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL1448133 0.80 CDK2 (0.35) CDK2MAP3K7TAB1MET
SCHEMBL5186049 0.80 CDK2 (0.35) CDK2MAP3K7TAB1MET
SCHEMBL273649 0.77 CDK2 (0.36) CDK2KCNH2
SCHEMBL4248519 0.72 JAK3 (0.45) CDK2
SCHEMBL1447253 0.70 MLYCD (0.35) MAP3K7TAB1METCHRNB2CHRNB4
SCHEMBL1447802 0.68 MLYCD (0.33) MAP3K7TAB1METCCNCCDK8
SCHEMBL278962 0.68 MAPT (0.40)
SCHEMBL1156190 0.68 MAPT (0.40)
SCHEMBL1156031 0.66 CDK2 (0.34) CDK2KCNH2
SCHEMBL1156032 0.66 CDK2 (0.34) CDK2KCNH2

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-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 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-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA CDK2 23/4885KCNH2 4185/4885MAP3K7 1587/4885

“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.