SCHEMBL6286094

SCHEMBL6286094

CC(=O)Nc1nc(-c2ccccc2)c(-c2ccncc2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
MAPT P10636 3/20 0.73
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
ADORA2A P29274 5/20 0.65
ADORA1 P30542 4/20 0.65
ADORA3 P0DMS8 3/20 0.65
ADORA2B P29275 3/20 0.65
KDM4E B2RXH2 2/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 1/20 0.64
XIAP P98170 3/20 0.61
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
PTGS2 P35354 1/20 0.56
RORC P51449 1/20 0.54
CHRM5 P08912 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL4110096 0.93 ALDH1A1 (0.82) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6546496 0.87 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL3071322 0.86 ADORA3 (0.62) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6546546 0.86 MAPT (0.88) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6286096 0.85 ADORA3 (0.61) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6545762 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6545823 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6546759 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6278341 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1ADORA2A
SCHEMBL6545438 0.84 ADORA3 (0.63) ALDH1A1MAPTKMT2AMEN1ADORA2A

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 ALDH1A1 3345/4885MAPT 2844/4885KMT2A 4107/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885MAPT 2113/4885KMT2A 3564/4885

“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.