SCHEMBL3868797

SCHEMBL3868797

O=C1N=Cc2cc(-c3ccc(Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)c4nccn34)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
MAPKAPK5 Q8IW41 3/20 0.43
ALOX5 P09917 1/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
IKBKB O14920 2/20 0.38
ERBB2 P04626 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CHUK O15111 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1685127 0.88 MAPKAPK5 (0.55) MAPKAPK5
SCHEMBL1685135 0.85 MAPKAPK5 (0.60) AURKAAURKBMAPKAPK5ALOX5CCNE1
SCHEMBL14162745 0.85 MAPKAPK5 (0.58) AURKAAURKBMAPKAPK5ALOX5CCNE1
SCHEMBL1685319 0.85 JAK2 (0.36) AURKAMAPKAPK5IKBKBCHUKFLT3
SCHEMBL1685204 0.84 RIPK1 (0.43) MAPKAPK5CCNE1CDK2
SCHEMBL1685331 0.83 MAPKAPK5 (0.34) AURKAAURKBMAPKAPK5CCNE1CDK2
SCHEMBL10133649 0.77 MAPKAPK5 (0.58) AURKAAURKBMAPKAPK5ALDH1A1PFKFB3
SCHEMBL10133651 0.77 MAPKAPK5 (0.51) AURKAAURKBMAPKAPK5CCNE1CDK2
SCHEMBL10133600 0.76 MAPKAPK5 (0.55) AURKAAURKBMAPKAPK5ERBB2ALDH1A1
SCHEMBL3875479 0.76 TNIK (0.38) MAPKAPK5

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-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 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-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 AURKA 3833/4885AURKB 3410/4885MAPKAPK5 19/4885

“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.