SCHEMBL6133821

SCHEMBL6133821

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.44
MAPK14 Q16539 2/20 0.44
ROCK2 O75116 1/20 0.43
GSK3B P49841 1/20 0.43
PTGS2 P35354 5/20 0.42
XIAP P98170 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
PDE9A O76083 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL6133532 0.89 PTGS2 (0.44) PTGS2XIAPALDH1A1HTTHSD17B10
SCHEMBL6133360 0.88 PTGS2 (0.42) PTGS2XIAPALDH1A1LMNAHTT
SCHEMBL6133468 0.87 ADORA2A (0.41) PTGS2XIAPALDH1A1NPSR1SMN1; SMN2
SCHEMBL6133910 0.86 MAPT (0.52) ALDH1A1HPGDLMNANPSR1SMN1; SMN2
SCHEMBL6133615 0.86 XIAP (0.46) ROCK2XIAPALDH1A1HTTADORA2A
SCHEMBL6134205 0.86 XIAP (0.43) PTGS2XIAPALDH1A1HTTADORA2A
SCHEMBL6134810 0.86 ADORA2A (0.47) PTGS2XIAPALDH1A1LMNANPSR1
Bromide SCHEMBL6134027 0.85 PTGS2 (0.40) GSK3BPTGS2XIAPALDH1A1HSD17B10
SCHEMBL6136106 0.85 MAPT (0.50) PTGS2XIAPALDH1A1HPGDLMNA
SCHEMBL6133401 0.85 XIAP (0.42) MAPK14PTGS2XIAPALDH1A1HTT

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 3 patents. 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
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (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 TGFBR1 966/4885MAPK14 4298/4885ROCK2 3088/4885

“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.