SCHEMBL3887685

SCHEMBL3887685

CCC(=O)Nc1cc(-c2sc(C(C)O)nc2-c2cccc(Cl)c2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.62
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
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK12 P53778 1/20 0.47
CSNK1G2 P78368 1/20 0.47
PTK6 Q13882 1/20 0.47
ERBB4 Q15303 1/20 0.47
MAPK11 Q15759 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
SCHEMBL3894640 0.90 MAPK14 (0.64) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3888132 0.90 MAPK14 (0.77) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3888312 0.87 MAPK14 (0.67) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3887409 0.87 MAPK14 (0.80) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3901652 0.86 MAPK14 (0.60) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3889390 0.86 MAPK14 (0.62) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3887604 0.85 MAPK14 (0.69) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3901645 0.83 MAPK14 (0.59) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3896122 0.83 MAPK14 (0.67) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3901350 0.82 MAPK14 (0.65) MAPK14IKBKBMAPK13PRKD3MAP4K4

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
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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO 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 50/4885IKBKB 119/4885MAPK13 72/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885IKBKB 497/4885MAPK13 32/4885

“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.