SCHEMBL4531387

SCHEMBL4531387

CC(C)(O)Cn1c(CO)nc2c(N)nc3cc(CCC(=O)N4CCOCC4)ccc3c21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.50
TLR8 Q9NR97 11/20 0.49
NUDT1 P36639 1/20 0.43
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FKBP1A P62942 2/20 0.39

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
SCHEMBL4535266 0.93 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL4523971 0.91 TLR7 (0.52) TLR7TLR8NUDT1FKBP1A
SCHEMBL4529799 0.90 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL4533711 0.89 TLR7 (0.51) TLR7TLR8NUDT1
SCHEMBL4533715 0.89 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL5521766 0.85 TLR7 (0.41) TLR7TLR8ALDH1A1NPSR1FKBP1A
SCHEMBL4524729 0.83 TLR7 (0.53) TLR7TLR8ALDH1A1NPSR1FKBP1A
SCHEMBL4533097 0.83 TLR7 (0.54) TLR7TLR8NUDT1
SCHEMBL4520720 0.81 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL4520724 0.81 TLR7 (0.51) TLR7TLR8NUDT1

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-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US claimed
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 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 (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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG TLR7 35/4885TLR8 90/4885NUDT1 313/4885

“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.