SCHEMBL2368906

SCHEMBL2368906

CCOCc1nc2c(N)nc3cc(N4CCOC4=O)cnc3c2n1CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.53
TLR8 Q9NR97 12/20 0.38
NUDT1 P36639 1/20 0.36

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
SCHEMBL2368655 0.85 TLR7 (0.54) TLR7TLR8NUDT1
SCHEMBL1490971 0.79 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL1490838 0.78 TLR7 (0.55) TLR7TLR8NUDT1
SCHEMBL2369373 0.76 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL2368524 0.75 TLR7 (0.66) TLR7TLR8NUDT1
SCHEMBL1490774 0.73 LRRK2 (0.48) TLR7
SCHEMBL1490440 0.73 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL2368998 0.73 TLR7 (0.41) TLR7
SCHEMBL4155960 0.73 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL2368839 0.73 TLR7 (0.40) TLR7TLR8

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-8017779-B2 Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-13 US disclosed
US-8017779-B2 Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-13 US disclosed
US-8017779-B2 Nitrogen containing heterocyclyl substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-13 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
WO-2005123080-A2 NITROGEN-CONTAINING HETEROCYCLYL SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 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 (1 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-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 TLR7 58/4885TLR8 136/4885NUDT1 86/4885

“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.