SCHEMBL3894719

SCHEMBL3894719

CNc1nc(-c2cccc(C)c2)c(-c2ccnc(NC3CCCCC3)c2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.73
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
IKBKB O14920 1/20 0.44
MAPK13 O15264 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
EGFR P00533 1/20 0.44
MAPK1 P28482 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FRK P42685 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
MAPK12 P53778 1/20 0.44
CSNK1G2 P78368 1/20 0.44

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
SCHEMBL3890864 0.99 MAPK14 (0.74) MAPK14KDM4EALDH1A1L3MBTL1IKBKB
SCHEMBL7102143 0.93 MAPK14 (0.74) MAPK14KDM4EALDH1A1L3MBTL1IKBKB
SCHEMBL5823314 0.89 MAPK14 (0.58) MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL1518734 0.87 MAPK14 (0.74) MAPK14KDM4EALDH1A1L3MBTL1IKBKB
SCHEMBL1518847 0.86 MAPK14 (0.75) MAPK14KDM4EALDH1A1L3MBTL1IKBKB
SCHEMBL3900849 0.85 MAPK14 (0.98) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3886238 0.84 MAPK14 (1.00) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3889541 0.84 MAPK14 (0.62) MAPK14KDM4EALDH1A1L3MBTL1IKBKB
SCHEMBL3890867 0.83 MAPK14 (0.63) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL3886791 0.82 MAPK14 (0.60) 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 9 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-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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 (3 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 50/4885KDM4E 4034/4885ALDH1A1 3345/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 MAPK14 31/4885KDM4E 2793/4885ALDH1A1 1660/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 MAPK14 14/4885KDM4E 1325/4885ALDH1A1 2596/4885

“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.