SCHEMBL6282412

SCHEMBL6282412

CC(C)(C)c1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.59
ADORA2A P29274 9/20 0.59
ADORA3 P0DMS8 9/20 0.59
ADORA2B P29275 2/20 0.59
CHRM5 P08912 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
USP2 O75604 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
DRD4 P21917 1/20 0.54
TSPO P30536 1/20 0.54

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
SCHEMBL6281497 0.92 ADORA3 (0.71) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6546460 0.92 ADORA3 (0.71) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6545626 0.90 ADORA3 (0.60) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6545476 0.87 MAPT (0.74) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6278341 0.86 ALDH1A1 (0.62) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6545762 0.86 ALDH1A1 (0.62) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6546069 0.86 KMT2A (0.56) ADORA1ADORA2AADORA3KMT2AALDH1A1
SCHEMBL6545850 0.83 XIAP (0.53) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6282277 0.83 ADORA3 (0.82) ADORA1ADORA2AADORA3ADORA2BCHRM5
SCHEMBL6546289 0.83 KDM4E (0.51) ADORA1ADORA2AADORA3ADORA2BCHRM5

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 9 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-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US 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 ADORA1 1594/4885ADORA2A 1487/4885ADORA3 1613/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ADORA1 2218/4885ADORA2A 1689/4885ADORA3 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.