SCHEMBL4382925

SCHEMBL4382925

CCOc1nc2c(N)nc3cccnc3c2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.44
TLR8 Q9NR97 2/20 0.44
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
STING1 Q86WV6 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 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
SCHEMBL3354173 0.85 TLR7 (0.59) TLR7TLR8
SCHEMBL4157089 0.85 TLR7 (0.49) TLR7TLR8KDM4EL3MBTL1TDP1
SCHEMBL4151937 0.83 TLR7 (0.48) TLR7TLR8KDM4EL3MBTL1STING1
SCHEMBL3352700 0.81 TLR7 (0.59) TLR7TLR8
SCHEMBL1490826 0.80 TLR7 (0.50) TLR7TLR8KDM4EL3MBTL1TDP1
SCHEMBL4316046 0.78 TLR7 (0.49) TLR7TLR8STING1CYP3A4CYP2D6
SCHEMBL5129487 0.78 TLR7 (0.46) TLR7TLR8KDM4EL3MBTL1TDP1
SCHEMBL4301043 0.78 TLR7 (0.47) TLR7TLR8KDM4EL3MBTL1TDP1
SCHEMBL3357579 0.77 STING1 (0.43) TLR7TLR8KDM4EL3MBTL1TDP1
SCHEMBL1490322 0.77 TLR7 (0.47) TLR7TLR8KDM4EL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329721-B2 Hydroxy and alkoxy substituted 1H-imidazonaphthyridines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
US-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS PFIZER INC. 2009-12-03 US disclosed
WO-2007106854-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS IL2, IL4, IFNG TLR7 61/4885TLR8 104/4885KDM4E 2756/4885

“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.