SCHEMBL4565229

SCHEMBL4565229

C=C(C)N(CCCCn1cnc2c(N)nc3ccccc3c21)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
NUDT1 P36639 1/20 0.51
HTR2B P41595 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
TLR8 Q9NR97 5/20 0.37

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
SCHEMBL5370008 0.82 TLR7 (0.60) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749046 0.82 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748604 0.82 TLR7 (0.57) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5358343 0.81 TLR7 (0.59) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5748398 0.81 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4565227 0.80 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3885227 0.79 TLR7 (0.66) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5745102 0.79 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5747400 0.79 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749444 0.79 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D

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-8188111-B2 Amide and carbamate derivatives of alkyl substituted N-[4-(4-amino-1H-imidazo[4,5-c]quinolin-1-yl)butyI]methanesulfonamides and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-29 US disclosed
US-20090176821-A1 Amide and Carbamate Derivatives of Alkyl Substituted N-[4-(4-Amino-1H-Imidazo[4,5-C] Quinolin-1-YL)Butyl]Methanesulfonamides and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-07-09 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-20090176821-A1 Amide and Carbamate Derivatives of Alkyl Substituted N-[4-(4-Amino-1H-Imidazo[4,5-C] Quinolin-1-YL)Butyl]Methanesulfonamides and Methods IFNG, CCL11, IL4 TLR7 273/4885LMNA 3624/4885POLB 2759/4885

“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.