SCHEMBL6286096

SCHEMBL6286096

CC(=O)Nc1nc(-c2cccc(Cl)c2)c(-c2ccncc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.61
ADORA2B P29275 3/20 0.61
ABL1 P00519 1/20 0.57
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
ADORA1 P30542 6/20 0.50
ADORA2A P29274 5/20 0.50
CHRM5 P08912 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
KDM1A O60341 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL6282023 0.88 POLB (0.53) ADORA3ADORA2BALDH1A1MEN1KMT2A
SCHEMBL3071322 0.87 ADORA3 (0.62) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL6286094 0.85 ALDH1A1 (0.73) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL27736015 0.83 ADORA3 (0.58) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL6283239 0.81 ADORA3 (0.69) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL10206293 0.81 ABL1 (0.58) ABL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4110096 0.78 ALDH1A1 (0.82) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL6545438 0.78 ADORA3 (0.63) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL6546546 0.77 MAPT (0.88) ADORA3ADORA2BALDH1A1MAPTMEN1
SCHEMBL6278341 0.76 ALDH1A1 (0.62) ADORA3ADORA2BALDH1A1MAPTMEN1

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 ADORA3 1613/4885ADORA2B 1833/4885ABL1 1078/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ADORA3 2584/4885ADORA2B 1923/4885ABL1 451/4885

“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.