SCHEMBL6282526

SCHEMBL6282526

CCC(=O)Nc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.61
ADORA3 P0DMS8 8/20 0.56
ADORA1 P30542 5/20 0.56
ADORA2A P29274 3/20 0.56
ADORA2B P29275 3/20 0.56
HTR2C P28335 2/20 0.56
CHRM5 P08912 1/20 0.56
HTR2A P28223 1/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
DRD4 P21917 1/20 0.52
TSPO P30536 1/20 0.52
DRD3 P35462 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
IKBKB O14920 1/20 0.48
MAPK13 O15264 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
EGFR P00533 1/20 0.48

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
SCHEMBL6278332 0.90 ADORA3 (0.66) MAPK14ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6282023 0.88 POLB (0.53) MAPK14ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3071322 0.87 ADORA3 (0.62) MAPK14ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6545641 0.87 ADORA3 (0.60) MAPK14ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6545576 0.81 ADORA3 (0.63) MAPK14ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2753574 0.81 RORC (0.65) ADORA3ADORA1ADORA2AADORA2BKDM4E
SCHEMBL6546414 0.81 ALDH1A1 (0.56) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL6546252 0.80 MAPT (0.66) ADORA3ADORA2BKDM4EALDH1A1HPGD
SCHEMBL6546864 0.79 KDM4E (0.51) ADORA3ADORA1ADORA2AADORA2BHTR2C
SCHEMBL6546289 0.79 KDM4E (0.51) ADORA3ADORA1ADORA2AADORA2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 50/4885ADORA3 1613/4885ADORA1 1594/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885ADORA3 2584/4885ADORA1 2218/4885

“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.