SCHEMBL6133615

SCHEMBL6133615

CC(C)n1nc(-c2sc(NC(=O)NCc3ccccc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.46
ADORA2A P29274 11/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 9/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ADORA2B P29275 1/20 0.41
LCK P06239 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MMP3 P08254 1/20 0.40
MAP3K5 Q99683 1/20 0.40
JUN P05412 1/20 0.40

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
SCHEMBL6134810 0.88 ADORA2A (0.47) XIAPADORA2AADORA3ADORA1ADORA2B
SCHEMBL6133290 0.87 ADORA2A (0.58) XIAPADORA2AADORA1
SCHEMBL6133821 0.86 TGFBR1 (0.44) XIAPADORA2AADORA1ROCK2ALDH1A1
SCHEMBL6133161 0.86 L3MBTL1 (0.47) ROCK2ALDH1A1
SCHEMBL6133654 0.85 ALDH1A1 (0.54) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6135469 0.84 XIAP (0.55) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133306 0.84 ADORA1 (0.60) XIAPADORA2AADORA3ADORA1ALDH1A1
SCHEMBL6133361 0.84 ADORA2A (0.48) XIAPADORA2AADORA1ALDH1A1MAPT
SCHEMBL6133228 0.84 XIAP (0.48) XIAPADORA2AADORA3ADORA1ALDH1A1
SCHEMBL6133303 0.84 ADORA2A (0.60) XIAPADORA2AADORA3ADORA1ADORA2B

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 XIAP 4881/4885ADORA2A 635/4885ADORA3 257/4885

“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.