SCHEMBL6133609

SCHEMBL6133609

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.43
TP53 P04637 1/20 0.39
ADORA2A P29274 4/20 0.37
ADORA1 P30542 3/20 0.37
MERTK Q12866 1/20 0.36
PTGS2 P35354 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
P2RY6 Q15077 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
DUSP3 P51452 1/20 0.34

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
SCHEMBL6135077 0.89 ADORA2A (0.36) XIAPADORA2AADORA1PTGS2ALDH1A1
SCHEMBL6134205 0.88 XIAP (0.43) XIAPTP53ADORA2AADORA1PTGS2
Bromide SCHEMBL6134102 0.87 XIAP (0.42) XIAPTP53ADORA2AADORA1PTGS2
SCHEMBL6133401 0.87 XIAP (0.42) XIAPTP53ADORA2AADORA1MERTK
SCHEMBL6134187 0.86 XIAP (0.41) XIAPTP53ADORA2AADORA1MERTK
SCHEMBL6133608 0.86 MEN1 (0.48) XIAPTP53ADORA2AADORA1MERTK
SCHEMBL6133532 0.85 PTGS2 (0.44) XIAPTP53ADORA2AADORA1PTGS2
Bromide SCHEMBL6828822 0.85 MEN1 (0.47) XIAPTP53ADORA2AADORA1MERTK
SCHEMBL6133654 0.84 ALDH1A1 (0.54) XIAPTP53ADORA2AADORA1ALDH1A1
SCHEMBL6133810 0.84 HSD17B10 (0.49) XIAPTP53ADORA2AADORA1PTGS2

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 XIAP 4881/4885TP53 4124/4885ADORA2A 635/4885

“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.