SCHEMBL3884928

SCHEMBL3884928

CCCCOC(=O)Nc1nc2ccccc2c2c1nc(CC)n2CCCCNS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.64
TLR8 Q9NR97 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PPARG P37231 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
SCHEMBL3884752 0.96 TLR7 (0.65) TLR7TLR8NPC1RAB9ASMN1; SMN2
SCHEMBL3888482 0.93 TLR7 (0.67) TLR7TLR8TDP1
SCHEMBL3884418 0.87 TLR7 (0.72) TLR7TLR8TDP1PPARG
SCHEMBL4523563 0.85 TLR7 (0.69) TLR7TLR8RAB9ATDP1
SCHEMBL3892251 0.85 TLR7 (0.68) TLR7TLR8TDP1
SCHEMBL9070687 0.85 TLR7 (0.68) TLR7TLR8TDP1PPARG
SCHEMBL4526411 0.85 TLR7 (0.68) TLR7TLR8ALDH1A1TDP1PPARG
SCHEMBL20284105 0.81 TLR7 (0.73) TLR7TLR8TDP1
SCHEMBL12409397 0.80 TLR7 (0.81) TLR7TLR8TDP1
SCHEMBL14567933 0.79 TLR7 (0.49) TLR7TLR8

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 10 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-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-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
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
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
EP-1924582-A4 AMIDE AND CARBAMATE DERIVATIVES OF ALKYL SUBSTITUTED N-[4-(4-AMINO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)BUTYL]METHANESULFONAMIDES AND METHODS COLEY PHARM GROUP INC (US) 2009-04-15 EP disclosed
EP-1924582-A2 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) 2008-05-28 EP disclosed
WO-2007030777-A2 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) 2007-03-15 WO disclosed
WO-2007030777-A2 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) 2007-03-15 WO 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 273/4885TLR8 223/4885NPC1 3502/4885

“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.