SCHEMBL5204963

SCHEMBL5204963

COC(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C)c3)c(-c3ccncn3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.52
ADORA2A P29274 3/20 0.52
ADORA3 P0DMS8 8/20 0.48
MAPK14 Q16539 6/20 0.48
CHRM5 P08912 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADORA2B P29275 1/20 0.48
DRD4 P21917 1/20 0.45
TSPO P30536 1/20 0.45
DRD3 P35462 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
IKBKB O14920 1/20 0.44
MAPK13 O15264 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
EGFR P00533 1/20 0.44
MAPK1 P28482 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5200288 0.91 ADORA1 (0.56) ADORA1ADORA2AADORA3MAPK14CHRM5
SCHEMBL4115414 0.77 MAPT (0.51) ADORA1ADORA2AADORA3MAPK14MAPT
SCHEMBL5203671 0.72 MAPK14 (0.48) MAPK14MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL5202308 0.72 MAPK14 (0.53) ADORA1ADORA2AADORA3MAPK14ADORA2B
SCHEMBL3891736 0.71 MAPK14 (0.51) ADORA1ADORA2AADORA3MAPK14CHRM5
SCHEMBL3888866 0.71 ADORA3 (0.57) ADORA1ADORA2AADORA3MAPK14CHRM5
SCHEMBL3071322 0.71 ADORA3 (0.62) ADORA1ADORA2AADORA3MAPK14CHRM5
SCHEMBL3892411 0.70 ADORA3 (0.69) ADORA1ADORA2AADORA3MAPK14CHRM5
SCHEMBL6282526 0.70 MAPK14 (0.61) ADORA1ADORA2AADORA3MAPK14CHRM5
SCHEMBL6500341 0.70 ADORA3 (0.68) ADORA1ADORA2AADORA3MAPK14CHRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 ADORA1 4358/4885ADORA2A 4636/4885ADORA3 4587/4885

“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.