SCHEMBL13375796

SCHEMBL13375796

N#Cc1ccc(N=O)c(NC2CCN(C3CCOCC3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 17/20 0.46
MAP3K12 Q12852 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
IRAK1 P51617 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4636443 0.84 IRAK4 (0.47) IRAK4MAP3K12HRH3
SCHEMBL4636034 0.82 MAPT (0.47) IRAK4MAP3K12
SCHEMBL10264748 0.82 IRAK4 (0.41) IRAK4CCNCCDK8CLK1CLK2
SCHEMBL18791644 0.80 MEN1 (0.39) IRAK4
SCHEMBL22048944 0.72 TNF (0.33) IRAK4
SCHEMBL26507520 0.70 KDM1A (0.38) IRAK4
SCHEMBL10268452 0.70 CHRM4 (0.54) HRH3
SCHEMBL14270465 0.69 CHRM2 (0.40) IRAK4HRH3
SCHEMBL12897676 0.68 HRH3 (0.47) MAP3K12HRH3
SCHEMBL10268334 0.68 IRAK4 (0.41) IRAK4

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-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 IRAK4 2981/4885MAP3K12 1783/4885CCNC 1890/4885

“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.