SCHEMBL6281978

SCHEMBL6281978

O=C(CCc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccncc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.64
▸ ADORA1 P30542 5/20 0.64
▸ ADORA3 P0DMS8 2/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ LMNA P02545 3/20 0.55
▸ RORC P51449 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ PTGS2 P35354 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ XIAP P98170 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ MAPK14 Q16539 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ PLTP P55058 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL6283651 0.88 RORC (0.67) ADORA2AADORA1ADORA3ADORA2BRORC
SCHEMBL2753572 0.81 RORC (0.74) ADORA2AADORA1ADORA3ADORA2BRORC
SCHEMBL2752606 0.80 ALDH1A1 (0.74) ADORA2AADORA1LMNARORCPTGS2
SCHEMBL6286094 0.80 ALDH1A1 (0.73) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL10254354 0.79 PTGS2 (0.61) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL6276729 0.78 ADORA1 (0.62) ADORA2AADORA1ADORA3ADORA2BRORC
SCHEMBL2753574 0.77 RORC (0.65) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL18015884 0.77 PTGS2 (0.55) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL6546414 0.75 ALDH1A1 (0.56) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL6546740 0.75 MAPT (0.63) ADORA3ADORA2BLMNAPTGS2ALDH1A1

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 ADORA2A 1487/4885ADORA1 1594/4885ADORA3 1613/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ADORA2A 1689/4885ADORA1 2218/4885ADORA3 2584/4885

“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.

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