Sugi Predict

Sugi Predict / Compounds / SCHEMBL563140

SCHEMBL563140

SCHEMBL563140

CCCCCc1cc2c(nc(O)n2CCCCS(C)(=O)=O)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 6/20 0.44
▸ TLR8 Q9NR97 8/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL563286 0.93 TLR7 (0.46) TLR7TLR8ALDH1A1HTTNOS2
SCHEMBL563369 0.86 TLR7 (0.42) TLR7TLR8NOS2GRK6ADORA3
SCHEMBL562576 0.86 TLR7 (0.36) TLR7KDM4EMAPT
SCHEMBL562446 0.85 TLR7 (0.48) TLR7TLR8NOS2ADORA3ADORA2A
SCHEMBL23420465 0.81 TLR7 (0.43) TLR7TLR8NOS2GRK6ADORA3
SCHEMBL562217 0.81 TLR7 (0.43) TLR7TLR8ALDH1A1HTTKDM4E
SCHEMBL23420459 0.80 TLR7 (0.42) TLR7TLR8NOS2GRK6ADORA3
SCHEMBL562444 0.79 TLR7 (0.61) TLR7TLR8
SCHEMBL23421734 0.79 TLR7 (0.41) TLR7TLR8ALDH1A1HTTKDM4E
SCHEMBL562241 0.78 TLR7 (0.40) TLR7TLR8ALDH1A1CDK1CDK2

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 210/4885TLR8 254/4885ALDH1A1 598/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 TLR7 231/4885TLR8 274/4885ALDH1A1 623/4885

“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.