SCHEMBL10133592

SCHEMBL10133592

O=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c3nccn23)cc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.49
FLT3 P36888 6/20 0.44
CCNE1 P24864 5/20 0.44
CDK2 P24941 5/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL14162745 0.91 MAPKAPK5 (0.58) MAPKAPK5FLT3CCNE1CDK2AURKA
SCHEMBL10133603 0.89 MAPKAPK5 (0.46) MAPKAPK5FLT3CCNE1CDK2AURKA
SCHEMBL1685208 0.86 MAPKAPK5 (0.64) MAPKAPK5MAPTMAPK1SMN1; SMN2GAA
SCHEMBL10134343 0.85 MAPKAPK5 (0.50) MAPKAPK5FLT3AURKAAURKBIKBKB
SCHEMBL10133651 0.84 MAPKAPK5 (0.51) MAPKAPK5FLT3CCNE1CDK2AURKA
SCHEMBL10133637 0.83 MAPKAPK5 (0.48) MAPKAPK5CDK2AURKAAURKBJAK2
SCHEMBL10133593 0.82 MAPKAPK5 (0.49) MAPKAPK5CCNE1CDK2IKBKBCHUK
SCHEMBL1685175 0.82 MAPKAPK5 (0.50) MAPKAPK5AURKAAURKBJAK2MAPT
SCHEMBL10133582 0.82 MAPKAPK5 (0.52) MAPKAPK5JAK2ROCK2KIT
SCHEMBL10133579 0.81 MAPKAPK5 (0.51) MAPKAPK5ROCK2

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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 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-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES COL2A1, MMP1, COL1A1 MAPKAPK5 19/4885FLT3 2448/4885CCNE1 2446/4885

“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.