SCHEMBL2707443

SCHEMBL2707443

CCc1nc2c(N)nc3ccccc3c2n1OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.59
TLR8 Q9NR97 8/20 0.52
NUDT1 P36639 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
ADORA2A P29274 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4403874 0.89 TLR7 (0.54) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2707329 0.88 TLR7 (0.63) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2706474 0.88 TLR7 (0.62) TLR7TLR8
SCHEMBL2706367 0.86 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL2707468 0.83 TLR7 (0.55) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2706371 0.82 TLR7 (0.47) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2706316 0.81 TLR7 (0.47) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL31411154 0.81 TLR7 (0.63) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2706370 0.80 TLR7 (0.45) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL22854078 0.79 TLR7 (0.57) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
EP-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
WO-2006028962-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases IL2, IL4, IRF3 TLR7 110/4885TLR8 508/4885NUDT1 496/4885

“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.