SCHEMBL6286355

SCHEMBL6286355

Cc1cc(C)cc(-c2nc(NC(=O)c3ccc(C(=O)O)cc3)sc2-c2ccncc2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.74
ADORA1 P30542 10/20 0.74
ADORA2A P29274 8/20 0.74
ADORA2B P29275 3/20 0.74
CHRM5 P08912 1/20 0.74
HTR2A P28223 1/20 0.74
HTR2C P28335 1/20 0.74
DRD4 P21917 1/20 0.64
TSPO P30536 1/20 0.64
DRD3 P35462 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6286347 0.93 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6282277 0.92 ADORA3 (0.82) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6276697 0.90 ADORA3 (0.76) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6286082 0.85 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6283239 0.83 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6284215 0.83 MAPT (0.67) ADORA3ADORA1ADORA2AMAPTSMN1; SMN2
SCHEMBL6278309 0.81 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL2651342 0.81 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6285564 0.81 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6278332 0.81 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 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 (2 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 ADORA3 1613/4885ADORA1 1594/4885ADORA2A 1487/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ADORA3 2584/4885ADORA1 2218/4885ADORA2A 1689/4885

“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.