SCHEMBL6105437

SCHEMBL6105437

CCCCCCCCc1nc2cnc3ccccc3c2n1CCO

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.63
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
TLR8 Q9NR97 2/20 0.45
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 1/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 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
SCHEMBL6106242 0.95 TLR7 (0.56) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL10123169 0.90 TLR7 (0.50) TLR7LMNATSHRTLR8ATM
SCHEMBL3178411 0.88 TLR7 (0.60) TLR7LMNATLR8PDE4APDE4B
SCHEMBL3973623 0.86 TLR7 (0.62) TLR7LMNATSHRTLR8ATM
SCHEMBL3173290 0.86 TLR7 (0.59) TLR7LMNATSHRTLR8SMN1; SMN2
SCHEMBL5618015 0.85 TLR7 (0.55) TLR7LMNATSHRTLR8SMN1; SMN2
SCHEMBL5361275 0.84 TLR7 (0.53) TLR7LMNATSHRTLR8ATM
SCHEMBL4794467 0.84 ALDH1A1 (0.51) TLR7TSHRTLR8SMN1; SMN2PDE4A
SCHEMBL5357057 0.84 TLR7 (0.53) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL5356378 0.83 TLR7 (0.52) TLR7TLR8PDE4APDE4BPDE4C

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 20/4885LMNA 3956/4885TSHR 2190/4885
US-20040106640-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885LMNA 3956/4885TSHR 2190/4885
US-20030212092-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885LMNA 3956/4885TSHR 2190/4885
US-20030212091-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TLR7 20/4885LMNA 3956/4885TSHR 2190/4885

“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.