SCHEMBL4380583

SCHEMBL4380583

CCOc1nc2c(N)nc3cccnc3c2n1CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.52
TLR8 Q9NR97 1/20 0.46
CNR2 P34972 5/20 0.39
CNR1 P21554 1/20 0.39
DHFR P00374 1/20 0.36
DCPS Q96C86 1/20 0.36
PDE1B Q01064 3/20 0.36
PDE1C Q14123 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4385238 0.84 TLR7 (0.51) TLR7TLR8DHFRDCPS
SCHEMBL4377041 0.77 TLR7 (0.52) TLR7TLR8
SCHEMBL14465820 0.71 TLR7 (0.53) TLR7TLR8CNR2CNR1PDE1B
SCHEMBL13663020 0.71 TLR7 (0.51) TLR7TLR8PDE1BPDE1CPDE1A
SCHEMBL4792257 0.71 TLR7 (0.46) TLR7TLR8CNR2
SCHEMBL14466884 0.69 TLR7 (0.51) TLR7TLR8CNR2HPGD
SCHEMBL212643 0.69 TLR7 (0.69) TLR7TLR8
SCHEMBL13588439 0.69 TLR7 (0.38) TLR7TLR8POLB
SCHEMBL4380193 0.69 TLR7 (0.38) TLR7TLR8POLB
SCHEMBL4382925 0.69 TLR7 (0.44) TLR7TLR8KDM4E

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 8 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-8329721-B2 Hydroxy and alkoxy substituted 1H-imidazonaphthyridines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
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
US-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS PFIZER INC. 2009-12-03 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
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 104/4885CNR2 995/4885

“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.