SCHEMBL6283651

SCHEMBL6283651

O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccncc2)s1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.67
▸ ADORA2A P29274 5/20 0.67
▸ ADORA1 P30542 5/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ ADORA2B P29275 1/20 0.67
▸ PRKACA P17612 1/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ WNT3A P56704 1/20 0.58
▸ ELOVL1 Q9BW60 1/20 0.55
▸ PTGS2 P35354 1/20 0.54
▸ XIAP P98170 2/20 0.54
▸ NFKB1 P19838 1/20 0.53
▸ CSNK1D P48730 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK5 Q00535 1/20 0.52

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
SCHEMBL2753572 0.94 RORC (0.74) RORCADORA2AADORA1ADORA3ADORA2B
SCHEMBL6276729 0.89 ADORA1 (0.62) RORCADORA2AADORA1ADORA3ADORA2B
SCHEMBL6281978 0.88 ADORA2A (0.64) RORCADORA2AADORA1ADORA3ADORA2B
SCHEMBL6286094 0.82 ALDH1A1 (0.73) RORCADORA2AADORA1ADORA3ADORA2B
SCHEMBL2753574 0.79 RORC (0.65) RORCADORA2AADORA1ADORA3ADORA2B
SCHEMBL974509 0.79 RORC (0.60) RORCADORA2AADORA1ELOVL1NFKB1
SCHEMBL13357164 0.78 ALDH1A1 (0.70) PRKACAROCK1SMN1; SMN2
SCHEMBL1449648 0.78 ADORA2A (1.00) RORCADORA2AADORA1NFKB1CSNK1D
SCHEMBL1449625 0.78 ADORA2A (1.00) RORCADORA2AADORA1
SCHEMBL7843818 0.77 RORC (0.68) RORCADORA2AADORA1PTGS2

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 RORC 609/4885ADORA2A 1487/4885ADORA1 1594/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 RORC 226/4885ADORA2A 1689/4885ADORA1 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.

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