SCHEMBL5349692

SCHEMBL5349692

CCOCc1nc2cnc3ccccc3c2n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.53
TLR8 Q9NR97 7/20 0.53
NUDT1 P36639 1/20 0.42
CNR2 P34972 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL22359571 0.97 TLR7 (0.54) TLR7TLR8NUDT1PIM1PIM3
SCHEMBL5350844 0.95 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL5121189 0.92 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL1232968 0.89 TLR7 (0.45) TLR7TLR8CNR2DYRK1APIM1
SCHEMBL4551314 0.88 TLR7 (0.54) TLR7
SCHEMBL2510171 0.88 PIM1 (0.46) TLR7TLR8PIM1PIM3
SCHEMBL1950513 0.88 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL4247851 0.87 TLR7 (0.46) TLR7TLR8DYRK1APIM1PIM3
SCHEMBL4142764 0.86 TLR7 (0.60) TLR7TLR8NUDT1
SCHEMBL3968312 0.86 TLR7 (0.49) TLR7TLR8PIM1PIM3

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
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-20050131009-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 US disclosed
US-6897221-B2 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 US disclosed
US-6784188-B2 ADMINISTERING TO A MAMMAL 1H-IMIDAZO(4,5-C)QUINOLINE RING CONTAINING COMPOUND FOR THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLSATIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US 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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885NUDT1 28/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885NUDT1 28/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885NUDT1 28/4885

“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.