SCHEMBL6502533

SCHEMBL6502533

Cc1cccc(-c2nc(-c3ccc([S+]([O-])c4ccc(-c5nc(-c6cccc(C)c6)c(-c6ccncc6)s5)cc4C)c(C)c3)sc2-c2ccncc2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.65
PTGS2 P35354 1/20 0.42
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6284207 0.83 MAPK14 (0.69) MAPK14PTGS2CSNK1DCSNK1E
SCHEMBL6280887 0.79 MAPK14 (1.00) MAPK14PTGS2
SCHEMBL3889529 0.78 MAPK14 (0.69) MAPK14PTGS2CSNK1DCSNK1E
SCHEMBL6601604 0.77 MAPK14 (0.61) MAPK14CSNK1DCSNK1E
SCHEMBL11464007 0.75 MAPK14 (0.56) MAPK14PTGS2MEN1ALDH1A1LMNA
SCHEMBL6505328 0.74 MAPK14 (0.51) MAPK14PTGS2MEN1ALDH1A1LMNA
SCHEMBL30242346 0.73 MAPK14 (1.00) MAPK14CSNK1DCSNK1EMAPK1
SCHEMBL6280916 0.73 MAPK14 (0.67) MAPK14CSNK1DCSNK1EMEN1ALDH1A1
SCHEMBL6285603 0.73 MAPK14 (0.50) MAPK14PTGS2MEN1ALDH1A1LMNA
SCHEMBL6508320 0.72 MAPK14 (0.55) MAPK14PTGS2ALDH1A1

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885PTGS2 57/4885CSNK1D 982/4885

“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.