SCHEMBL4241950

SCHEMBL4241950

CCOCc1nc2c[n+]([O-])c3cc(OCCCCCCNC(=O)O)ccc3c2n1CC(C)(C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.39
TLR8 Q9NR97 8/20 0.36
DYRK1A Q13627 2/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
MTNR1A P48039 5/20 0.32
MTNR1B P49286 4/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4241954 1.00 TLR7 (0.39) TLR7TLR8DYRK1ARAB9AATM
SCHEMBL16188204 0.88 TLR7 (0.35) TLR7TLR8
SCHEMBL4239847 0.87 TLR7 (0.42) TLR7TLR8RAB9AATMACSS2
SCHEMBL4245720 0.87 TLR7 (0.41) TLR7TLR8ACSS2
SCHEMBL4245726 0.87 TLR7 (0.41) TLR7TLR8ACSS2
SCHEMBL1486770 0.86 TLR7 (0.39) TLR7TLR8RAB9AACSS2MAPT
SCHEMBL4239486 0.85 TLR8 (0.41) TLR7TLR8DYRK1A
SCHEMBL4241542 0.82 TLR7 (0.56) TLR7TLR8
SCHEMBL4252899 0.79 TLR7 (0.42) TLR7TLR8DYRK1AACSS2
SCHEMBL1486717 0.78 TOP2A (0.36) TLR7TLR8ACSS2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 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 (3 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 36/4885TLR8 129/4885DYRK1A 4561/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 TLR7 36/4885TLR8 129/4885DYRK1A 4561/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 36/4885TLR8 129/4885DYRK1A 4561/4885

“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.