SCHEMBL6283239

SCHEMBL6283239

CC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2ccncc2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.69
ADORA2B P29275 3/20 0.69
ADORA1 P30542 7/20 0.69
ADORA2A P29274 5/20 0.69
CHRM5 P08912 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
DRD4 P21917 1/20 0.60
TSPO P30536 1/20 0.60
DRD3 P35462 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PIK3CG P48736 4/20 0.49
PIK3CD O00329 3/20 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
SCHEMBL6545438 0.95 ADORA3 (0.63) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL3071322 0.89 ADORA3 (0.62) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL6286347 0.88 ADORA3 (0.80) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL6285564 0.86 ADORA3 (0.65) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL6278332 0.86 ADORA3 (0.66) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL3896156 0.86 ADORA3 (0.54) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL3902975 0.85 ADORA3 (0.53) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL6545803 0.85 ADORA3 (0.67) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL6602906 0.84 ADORA3 (0.52) ADORA3ADORA2BADORA1ADORA2ACHRM5
SCHEMBL6545576 0.84 ADORA3 (0.63) ADORA3ADORA2BADORA1ADORA2ACHRM5

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 11 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
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO 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 1613/4885ADORA2B 1833/4885ADORA1 1594/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ADORA3 2584/4885ADORA2B 1923/4885ADORA1 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.