SCHEMBL6494409

SCHEMBL6494409

CCCCc1nc2cnc3ccccc3c2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.54
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL4551314 0.96 TLR7 (0.54) TLR7GAAHTTLMNATP53
SCHEMBL24723244 0.95 TLR7 (0.54) TLR7GAAHTTLMNATP53
SCHEMBL12888420 0.94 TLR7 (0.48) TLR7TLR8
SCHEMBL4328571 0.92 TLR7 (0.51) TLR7GAAHTTLMNATP53
SCHEMBL29475708 0.92 TLR7 (0.51) TLR7GAAHTTLMNATP53
SCHEMBL3970752 0.92 TLR7 (0.52) TLR7GAAHTTLMNATP53
SCHEMBL3968312 0.91 TLR7 (0.49) TLR7LMNATP53TLR8
SCHEMBL5362245 0.89 TLR7 (0.43) TLR7GAATLR8
SCHEMBL1233136 0.89 TLR7 (0.43) TLR7GAATLR8
SCHEMBL6503884 0.88 L3MBTL1 (0.52) TLR7GAAHTTLMNATP53

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-6916925-B1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES CO. (US) 2005-07-12 US disclosed
EP-1228147-B1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2004-02-04 EP disclosed
US-6630588-B2 Imidazonaphthyridine, imidazopyridine and imidazoquinoline compounds that have immune response modulating activity and that contain a dye moiety, in particular, a fluorescent dye moiety, e.g., dipyrrometheneboron difluoride dyes 3M INNOVATIVE PROPERTIES COMPANY 2003-10-07 US disclosed
US-20020120141-A1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES COMPANY 2002-08-29 US disclosed
EP-1228147-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M Innovative Properties Company (US) 2002-08-07 EP disclosed
US-6376669-B1 COMPLEXES 3M INNOVATIVE PROPERTIES COMPANY 2002-04-23 US disclosed
WO-2001034709-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-17 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-20020120141-A1 Dye labeled imidazoquinoline compounds LY96, CD74, IFNAR1 TLR7 41/4885GAA 2621/4885HTT 4163/4885

“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.