SCHEMBL211716

SCHEMBL211716

Oc1nc2c(Cl)nc3ccccc3c2n1CC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.53
TLR8 Q9NR97 2/20 0.47
MAOB P27338 3/20 0.40
HTR6 P50406 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
BRD4 O60885 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
CNR1 P21554 3/20 0.38
KCNH2 Q12809 3/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL212643 0.87 TLR7 (0.69) TLR7TLR8
SCHEMBL211223 0.78 TLR7 (0.51) TLR7TLR8
SCHEMBL213639 0.75 TSHR (0.47) TLR7TLR8ALDH1A1
SCHEMBL211357 0.75 TLR7 (0.38) TLR7TLR8
SCHEMBL2059177 0.75 TLR7 (0.74) TLR7TLR8
SCHEMBL2743938 0.75 TLR7 (0.74) TLR7TLR8
SCHEMBL6926668 0.73 IDO1 (0.40) TLR7TLR8BRD4
SCHEMBL4385238 0.71 TLR7 (0.51) TLR7TLR8
SCHEMBL212611 0.71 TLR7 (0.51) TLR7TLR8ALDH1A1
SCHEMBL212885 0.71 TLR7 (0.53) TLR7ALDH1A1CNR2

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
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 US disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 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 (2 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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 TLR7 58/4885TLR8 137/4885MAOB 2399/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 TLR7 58/4885TLR8 137/4885MAOB 2399/4885

“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.