SCHEMBL563369

SCHEMBL563369

CCCCCc1cc2c(nc(O)n2CCCNS(C)(=O)=O)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.42
TLR8 Q9NR97 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
CNR2 P34972 1/20 0.32
NOS2 P35228 1/20 0.32
GRK6 P43250 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL563140 0.86 TLR7 (0.44) TLR7TLR8CDK1CDK2NOS2
SCHEMBL563286 0.86 TLR7 (0.46) TLR7TLR8CDK1CDK2NOS2
SCHEMBL562217 0.84 TLR7 (0.43) TLR7TLR8GRK6
SCHEMBL562446 0.82 TLR7 (0.48) TLR7TLR8CDK1CDK2NOS2
SCHEMBL23420465 0.80 TLR7 (0.43) TLR7TLR8NOS2GRK6ADORA3
SCHEMBL561924 0.78 EPHX1 (0.48)
SCHEMBL562444 0.77 TLR7 (0.61) TLR7TLR8
SCHEMBL23420459 0.76 TLR7 (0.42) TLR7TLR8NOS2GRK6ADORA3
SCHEMBL562241 0.75 TLR7 (0.40) TLR7TLR8CDK1CDK2CNR2
SCHEMBL562452 0.75 TLR7 (0.47) TLR7TLR8NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 US disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 TLR7 210/4885TLR8 254/4885HRH1 32/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 TLR7 231/4885TLR8 274/4885HRH1 32/4885

“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.