SCHEMBL6105409

SCHEMBL6105409

Nc1nc2ccccc2c2c1nc(C1CCCC1)n2CCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.50
CHRM1 P11229 2/20 0.50
KCNH2 Q12809 2/20 0.50
TLR7 Q9NYK1 10/20 0.46
ADORA3 P0DMS8 1/20 0.45
TLR8 Q9NR97 4/20 0.45
CYP2D6 P10635 2/20 0.44

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
SCHEMBL6105703 0.87 TLR7 (0.52) HRH1CHRM1KCNH2TLR7TLR8
SCHEMBL6106408 0.82 TLR7 (0.57) TLR7TLR8
SCHEMBL6106367 0.81 TLR7 (0.63) TLR7TLR8
SCHEMBL6106550 0.79 TLR8 (0.62) TLR7TLR8
SCHEMBL6107457 0.79 TLR7 (0.50) TLR7TLR8
SCHEMBL6103486 0.77 TLR8 (0.49) KCNH2TLR7TLR8
SCHEMBL7124016 0.77 TLR8 (0.49) TLR7TLR8
SCHEMBL6106004 0.75 TLR7 (0.60) TLR7TLR8
SCHEMBL6107164 0.75 TLR7 (0.66) KCNH2TLR7TLR8
SCHEMBL6105631 0.74 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 HRH1 316/4885CHRM1 4348/4885KCNH2 3784/4885
US-20040106640-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 HRH1 316/4885CHRM1 4348/4885KCNH2 3784/4885
US-20030212092-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 HRH1 316/4885CHRM1 4348/4885KCNH2 3784/4885
US-20030212091-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 HRH1 316/4885CHRM1 4348/4885KCNH2 3784/4885

“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.