SCHEMBL4523563

SCHEMBL4523563

CCc1nc2c(NC(=O)c3ccccc3)nc3ccccc3c2n1CCCCNS(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.69
TDP1 Q9NUW8 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
ADORA1 P30542 1/20 0.40
RAB9A P51151 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL3884418 0.91 TLR7 (0.72) TLR7TDP1ADORA3ADORA1TLR8
SCHEMBL3892251 0.89 TLR7 (0.68) TLR7TDP1TLR8
SCHEMBL9070687 0.89 TLR7 (0.68) TLR7TDP1TLR8
SCHEMBL4526411 0.89 TLR7 (0.68) TLR7TDP1KDM4EMEN1LMNA
SCHEMBL3888482 0.88 TLR7 (0.67) TLR7TDP1KDM4ETLR8
SCHEMBL3884752 0.86 TLR7 (0.65) TLR7TDP1TP53RAB9ATLR8
SCHEMBL3884928 0.85 TLR7 (0.64) TLR7TDP1RAB9ATLR8
SCHEMBL20284105 0.84 TLR7 (0.73) TLR7TDP1TLR8
SCHEMBL12409397 0.84 TLR7 (0.81) TLR7TDP1TLR8
Cpg-52852 SCHEMBL483385 0.82 TLR7 (1.00) 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 7 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
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 273/4885TDP1 3256/4885ADORA3 3787/4885

“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.