SCHEMBL3898413

SCHEMBL3898413

COc1ncccc1C(=O)Nc1nc(-c2cccc(C)c2)c(-c2ccnc(C)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
ADORA3 P0DMS8 7/20 0.49
ADORA1 P30542 5/20 0.49
ADORA2A P29274 2/20 0.49
CHRM5 P08912 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADORA2B P29275 1/20 0.49
POLQ O75417 2/20 0.48
IKBKB O14920 1/20 0.47
MAPK13 O15264 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
MAPK1 P28482 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FRK P42685 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 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
SCHEMBL6508068 0.89 MAPK14 (0.53) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL5793896 0.88 MAPK14 (0.71) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL6509650 0.87 ALDH1A1 (0.53) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL5790800 0.85 MAPK14 (0.60) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL5807919 0.85 MAPK14 (0.55) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL5808312 0.85 MAPK14 (0.55) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL5807915 0.85 MAPK14 (0.55) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL3890837 0.84 MAPK14 (0.56) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL3888866 0.83 ADORA3 (0.57) MAPK14ADORA3ADORA1ADORA2ACHRM5
SCHEMBL3891736 0.83 MAPK14 (0.51) MAPK14ADORA3ADORA1ADORA2ACHRM5

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-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 MAPK14 50/4885ADORA3 1613/4885ADORA1 1594/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885ADORA3 3759/4885ADORA1 3999/4885

“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.