SCHEMBL6133360

SCHEMBL6133360

CCCNc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
XIAP P98170 3/20 0.39
ADORA2A P29274 6/20 0.38
MERTK Q12866 1/20 0.38
ADORA1 P30542 5/20 0.37
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDC25B P30305 1/20 0.36
DUSP3 P51452 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
Bromide SCHEMBL6134027 0.93 PTGS2 (0.40) PTGS2XIAPADORA2AMERTKADORA1
SCHEMBL6133383 0.92 ALDH1A1 (0.43) PTGS2XIAPPTPN1PTPN2CDC25B
SCHEMBL6133532 0.92 PTGS2 (0.44) PTGS2XIAPADORA2AADORA1GAA
SCHEMBL6136106 0.89 MAPT (0.50) PTGS2XIAPADORA2AADORA1PTPN1
SCHEMBL6133821 0.88 TGFBR1 (0.44) PTGS2XIAPADORA2AADORA1GAA
SCHEMBL6134205 0.86 XIAP (0.43) PTGS2XIAPADORA2AADORA1MAPT
SCHEMBL6133970 0.86 PTGS2 (0.47) PTGS2GAAMAPTKDM4EALDH1A1
SCHEMBL6133314 0.86 HIF1A (0.41) PTGS2XIAPADORA2AADORA1MAPT
SCHEMBL6133401 0.85 XIAP (0.42) PTGS2XIAPADORA2AMERTKADORA1
Bromide SCHEMBL6134102 0.85 XIAP (0.42) PTGS2XIAPADORA2AADORA1MAPT

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 PTGS2 1262/4885XIAP 4881/4885ADORA2A 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.