SCHEMBL6280002

SCHEMBL6280002

Cc1cc(C)cc(-c2nc(NCc3ccccc3)sc2-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.53
ADORA1 P30542 5/20 0.53
ADORA2A P29274 3/20 0.53
ADORA2B P29275 2/20 0.53
CHRM5 P08912 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
ROCK2 O75116 2/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
LYN P07948 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
AKT1 P31749 1/20 0.53
FLT3 P36888 1/20 0.53
CSNK1D P48730 1/20 0.53
CLK2 P49760 1/20 0.53
IRAK1 P51617 1/20 0.53
PRKX P51817 1/20 0.53
NEK4 P51957 1/20 0.53

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
SCHEMBL6280936 0.81 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6276729 0.81 ADORA1 (0.62) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL7846478 0.80 PTGS2 (0.56) ADORA3ADORA1ADORA2AADORA2BROCK2
SCHEMBL6284195 0.80 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6282277 0.77 ADORA3 (0.82) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL4258909 0.76 MAPK14 (0.59) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL6278906 0.76 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2BCHRM5
SCHEMBL11368657 0.75 PTGS2 (0.65) ROCK2CLK4GSK3BPTGS2PTGS1
SCHEMBL4266158 0.74 MAPK14 (0.66) MAP4K4CSNK1DCSNK1G1MAPK14
SCHEMBL6283239 0.74 ADORA3 (0.69) 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.