SCHEMBL4565227

SCHEMBL4565227

C=C(C)CS(=O)(=O)NCCCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.51
ADORA2A P29274 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
NUDT1 P36639 1/20 0.50
HTR2B P41595 1/20 0.50
PDE4D Q08499 1/20 0.50
KCNH2 Q12809 1/20 0.50
TLR8 Q9NR97 4/20 0.37
TMIGD3 P0DMS9 1/20 0.36
ADORA1 P30542 1/20 0.36
NPY5R Q15761 3/20 0.34
MAPT P10636 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL3885227 0.86 TLR7 (0.66) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL3968295 0.85 TLR7 (0.64) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL3823102 0.85 TLR7 (0.54) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL14516511 0.83 TLR7 (0.52) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL13937462 0.82 TLR7 (0.56) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL20284100 0.81 TLR7 (0.61) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL24122582 0.81 TLR7 (0.54) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL4565229 0.80 TLR7 (0.52) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL5370008 0.80 TLR7 (0.60) TLR7ADORA2APOLBLMNAHRH2
SCHEMBL5358343 0.79 TLR7 (0.59) TLR7ADORA2APOLBLMNAHRH2

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 273/4885ADORA2A 3937/4885POLB 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.