SCHEMBL5346497

SCHEMBL5346497

CCOCc1nc2c[n+]([O-])c3ccccc3c2n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.48
TLR8 Q9NR97 2/20 0.48
CNR2 P34972 1/20 0.44
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
DYRK1A Q13627 1/20 0.40
IDO1 P14902 2/20 0.38
BCHE P06276 1/20 0.38
DRD2 P14416 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
SCHEMBL5364581 0.96 TLR7 (0.47) TLR7TLR8CNR2PIM1PIM3
SCHEMBL5113144 0.93 TLR7 (0.48) TLR7TLR8CNR2PIM1PIM3
SCHEMBL5364616 0.89 TLR7 (0.48) TLR7CNR2PIM1PIM3DYRK1A
SCHEMBL15205345 0.88 TLR7 (0.40) TLR7TLR8
SCHEMBL15205343 0.88 TLR7 (0.40) TLR7TLR8
SCHEMBL5348805 0.87 CNR2 (0.47) CNR2PIM1PIM3DYRK1AIDO1
SCHEMBL1952878 0.86 CNR2 (0.44) TLR7CNR2PIM1PIM3DYRK1A
SCHEMBL25962881 0.86 TLR7 (0.49) TLR7CNR2PIM1PIM3
SCHEMBL5106169 0.84 TLR7 (0.40) TLR7TLR8CNR2PIM1PIM3
SCHEMBL5365500 0.84 MAPT (0.46) TLR7CNR2DYRK1A

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 237/4885CNR2 2428/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885CNR2 2428/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885CNR2 2428/4885

“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.