SCHEMBL6133314

SCHEMBL6133314

CC(C)n1nc(-c2sc(NCCc3ccccn3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MAOB P27338 1/20 0.38
PTGS2 P35354 4/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ACKR3 P25106 1/20 0.36
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 1/20 0.35
XIAP P98170 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 2/20 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
SCHEMBL6133468 0.91 ADORA2A (0.41) HIF1AADORA2AADORA1PTGS2ADORA3
SCHEMBL6133360 0.86 PTGS2 (0.42) ADORA2AADORA1PTGS2ALDH1A1XIAP
SCHEMBL6133519 0.85 CYP3A4 (0.43) ADORA2AADORA1ALDH1A1MEN1NPC1
SCHEMBL6133532 0.83 PTGS2 (0.44) ADORA2AADORA1PTGS2CYP1A2ALDH1A1
Bromide SCHEMBL6134027 0.83 PTGS2 (0.40) ADORA2AADORA1PTGS2ALDH1A1XIAP
SCHEMBL6136106 0.83 MAPT (0.50) ADORA2AADORA1PTGS2ALDH1A1XIAP
SCHEMBL6133383 0.82 ALDH1A1 (0.43) PTGS2ALDH1A1XIAPNPC1MAPT
SCHEMBL6133757 0.82 ADORA1 (0.43) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6133283 0.82 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6133821 0.82 TGFBR1 (0.44) ADORA2AADORA1PTGS2ALDH1A1XIAP

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 HIF1A 2631/4885ADORA2A 635/4885ADORA1 243/4885

“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.