SCHEMBL6282302

SCHEMBL6282302

CCCNc1nc(-c2ccc(OC)cc2)c(-c2ccncc2)s1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
ALDH1A1 P00352 5/20 0.69
GAA P10253 3/20 0.69
KDM4E B2RXH2 3/20 0.69
LMNA P02545 3/20 0.69
RECQL P46063 2/20 0.69
HTT P42858 1/20 0.69
PTGS2 P35354 4/20 0.59
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.48
LIMK1 P53667 1/20 0.47
TGFBR1 P36897 1/20 0.46
ACHE P22303 4/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6283182 0.90 MAPT (0.64) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL6546415 0.83 MAPT (0.61) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL7841857 0.82 PTGS2 (0.57) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL6280936 0.81 ADORA3 (0.54) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL6546740 0.80 MAPT (0.63) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL6546252 0.80 MAPT (0.66) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL6278804 0.80 MAPT (0.62) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL1302256 0.78 PTGS2 (0.67) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL6285228 0.78 MAPT (0.63) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL253495 0.78 MAPT (0.69) MAPTALDH1A1GAAKDM4ELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
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 MAPT 2844/4885ALDH1A1 3345/4885GAA 2036/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPT 2113/4885ALDH1A1 3292/4885GAA 2982/4885

“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.