SCHEMBL6103473

SCHEMBL6103473

COc1ccc(Cc2nc3c(N)nc4ccccc4c3n2CCOc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.60
TLR8 Q9NR97 6/20 0.52
HSP90AB1 P08238 1/20 0.48
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3817997 0.86 TLR7 (0.65) TLR7TLR8HSP90AB1
SCHEMBL7544861 0.86 TLR7 (0.62) TLR7TLR8HSP90AB1
SCHEMBL6106004 0.83 TLR7 (0.60) TLR7TLR8
SCHEMBL6106550 0.83 TLR8 (0.62) TLR7TLR8SMN1; SMN2
SCHEMBL4864838 0.82 TLR7 (0.58) TLR7TLR8
SCHEMBL6107164 0.81 TLR7 (0.66) TLR7TLR8LMNA
SCHEMBL6104415 0.81 TLR8 (0.63) TLR7TLR8
SCHEMBL4864846 0.81 TLR7 (0.56) TLR7TLR8
SCHEMBL5351173 0.81 TLR7 (0.56) TLR7TLR8
SCHEMBL6105631 0.81 TLR7 (0.73) 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-6989389-B2 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-01-24 US disclosed
US-6953804-B2 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-10-11 US disclosed
US-20040138248-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-15 US disclosed
US-20040106640-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2004-06-03 US disclosed
US-6677348-B2 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-6670372-B2 Immunomodulators, for inducing cytokine biosynthesis in animals, and in the treatment of viral and neoplastic diseases; imidazo(4,5-c) quinoline-4-amine compounds that have an ether containing substituent at the 1-position 3M INNOVATIVE PROPERTIES COMPANY 2003-12-30 US disclosed
US-20030212092-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2003-11-13 US disclosed
US-20030212091-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
EP-1341789-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
WO-2002046189-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (4 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-20040138248-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885TLR8 68/4885HSP90AB1 2935/4885
US-20040106640-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885TLR8 68/4885HSP90AB1 2935/4885
US-20030212092-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885TLR8 68/4885HSP90AB1 2935/4885
US-20030212091-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885TLR8 68/4885HSP90AB1 2935/4885

“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.