SCHEMBL2059201

SCHEMBL2059201

CO/N=C/c1nc2c(N)nc3ccccc3c2n1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.52
TLR8 Q9NR97 8/20 0.52
NUDT1 P36639 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR2B P41595 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL2059203 1.00 TLR7 (0.52) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL14870976 0.82 TLR7 (0.56) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2058834 0.81 ALDH1A1 (0.39) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2058833 0.81 ALDH1A1 (0.39) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL28761870 0.79 TLR7 (0.58) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL842364 0.79 TLR7 (0.62) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL2059416 0.78 TLR7 (0.32) TLR7ADORA2A
SCHEMBL2059415 0.78 TLR7 (0.32) TLR7ADORA2A
SCHEMBL8572870 0.78 TLR7 (0.74) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL6723566 0.77 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968563-B2 Oxime and hydroxylamine substituted imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-28 US disclosed
US-20100069427-A9 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-03-18 US disclosed
US-20090062328-A1 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-05 US disclosed
EP-1846405-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO 4,5-C RING COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006086634-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 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 (2 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-20100069427-A9 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods IFNG, IL4, IRF3 TLR7 76/4885TLR8 110/4885NUDT1 269/4885
US-20090062328-A1 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods IFNG, IL4, IRF3 TLR7 76/4885TLR8 110/4885NUDT1 269/4885

“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.