SCHEMBL6133625

SCHEMBL6133625

CC(C)n1nc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.56
ADORA1 P30542 8/20 0.56
XIAP P98170 3/20 0.47
SLC5A1 P13866 1/20 0.43
ACHE P22303 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL6133566 0.95 ADORA1 (0.52) ADORA2AADORA1XIAPSLC5A1ACHE
SCHEMBL6134330 0.90 ACHE (0.50) ADORA2AADORA1ACHE
SCHEMBL6133654 0.88 ALDH1A1 (0.54) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6135469 0.87 XIAP (0.55) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6133228 0.86 XIAP (0.48) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6133303 0.86 ADORA2A (0.60) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6133869 0.85 CFTR (0.48) ADORA2AADORA1XIAPALDH1A1MAPT
Hydrochloric Acid SCHEMBL6134922 0.85 ADORA2A (0.43) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6133306 0.84 ADORA1 (0.60) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6133361 0.84 ADORA2A (0.48) ADORA2AADORA1XIAPALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ADORA2A 635/4885ADORA1 243/4885XIAP 4881/4885

“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.