SCHEMBL5116364

SCHEMBL5116364

Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC3CCCC3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.63
MAPK13 O15264 17/20 0.63
MAPK12 P53778 17/20 0.63
MAPK11 Q15759 17/20 0.63
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 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
SCHEMBL5127111 0.99 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5112890 0.98 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5120005 0.96 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5120020 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5118533 0.86 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5116064 0.85 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5119031 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5118590 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5125093 0.84 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5114710 0.84 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 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 (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-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 MAPK14 5/4885MAPK13 1/4885MAPK12 9/4885

“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.