SCHEMBL563286

SCHEMBL563286

CCCCCc1cc2c(nc(O)n2CCS(C)(=O)=O)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.46
NOS2 P35228 1/20 0.35
ADORA2A P29274 2/20 0.34
TLR8 Q9NR97 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 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 0.93 TLR7 (0.44) TLR7NOS2ADORA2ATLR8ADORA3
SCHEMBL563369 0.86 TLR7 (0.42) TLR7NOS2ADORA2ATLR8ADORA3
SCHEMBL562446 0.85 TLR7 (0.48) TLR7NOS2ADORA2ATLR8ADORA3
SCHEMBL562444 0.81 TLR7 (0.61) TLR7TLR8
SCHEMBL562217 0.81 TLR7 (0.43) TLR7TLR8ALDH1A1HTT
SCHEMBL562576 0.80 TLR7 (0.36) TLR7
SCHEMBL562241 0.79 TLR7 (0.40) TLR7TLR8CDK1CDK2ALDH1A1
SCHEMBL562452 0.79 TLR7 (0.47) TLR7NOS2TLR8
SCHEMBL23420465 0.78 TLR7 (0.43) TLR7NOS2ADORA2ATLR8ADORA3
SCHEMBL562892 0.78 TLR7 (0.41) TLR7ADORA2ATLR8CDK1CDK2

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 7 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-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 210/4885NOS2 1447/4885ADORA2A 1703/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 TLR7 231/4885NOS2 1400/4885ADORA2A 1854/4885

“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.