SCHEMBL6509650

SCHEMBL6509650

Cc1cccc(-c2nc(NC(=O)c3cccnc3Cl)sc2-c2ccnc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPK14 Q16539 11/20 0.52
MAPK1 P28482 2/20 0.47
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
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

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
SCHEMBL6498858 0.93 ALDH1A1 (0.55) ALDH1A1MAPK14MAPK1ADORA3ADORA1
SCHEMBL6508068 0.91 MAPK14 (0.53) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL3898413 0.87 MAPK14 (0.52) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL5790672 0.87 MAPK14 (0.69) MAPK14MAPK1IKBKBMAPK13PRKD3
SCHEMBL5790306 0.85 MAPK14 (0.61) ALDH1A1MAPK14MAPK1IKBKBMAPK13
SCHEMBL6499241 0.85 MAPK14 (0.60) ALDH1A1MAPK14MAPK1IKBKBMAPK13
SCHEMBL5806657 0.84 MAPK14 (0.53) ALDH1A1MAPK14MAPK1IKBKBMAPK13
SCHEMBL6500249 0.84 MAPK14 (0.59) ALDH1A1MAPK14MAPK1IKBKBMAPK13
SCHEMBL5822062 0.84 MAPK14 (0.53) ALDH1A1MAPK14MAPK1IKBKBMAPK13
SCHEMBL5822061 0.84 MAPK14 (0.53) ALDH1A1MAPK14MAPK1IKBKBMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US 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 (1 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 3345/4885MAPK14 50/4885MAPK1 4/4885

“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.