SCHEMBL6493986

SCHEMBL6493986

CCCCc1nc2c(N)nc3ccccc3c2n1CCNOC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.62
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ CA9 Q16790 9/20 0.47
▸ CA1 P00915 8/20 0.47
▸ CA2 P00918 8/20 0.47
▸ CA12 O43570 6/20 0.47
▸ CA14 Q9ULX7 2/20 0.46
▸ CA7 P43166 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ TRAP1 Q12931 1/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ ADORA3 P0DMS8 4/20 0.44
▸ ADORA2A P29274 4/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ FKBP1A P62942 1/20 0.43

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
SCHEMBL6493993 0.92 TLR7 (0.69) TLR7CA9CA1CA2CA12
SCHEMBL6492207 0.84 TLR7 (0.59) TLR7CA9CA1CA2CA12
SCHEMBL13837707 0.76 TLR7 (1.00) TLR7
SCHEMBL19426705 0.73 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL13219607 0.73 CA1 (0.72) CA9CA1CA2CA12CA14
SCHEMBL13815114 0.72 CA1 (0.71) CA9CA1CA2CA12CA14
SCHEMBL13837481 0.71 TLR7 (1.00) TLR7
SCHEMBL12185092 0.71 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL14086339 0.70 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL12160082 0.69 CA1 (0.68) CA9CA1CA2CA12CA14

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 41/4885ADRA1D 288/4885ADRA1A 216/4885

“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.

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