SCHEMBL10133644

SCHEMBL10133644

O=C1NCc2cc(-c3ccc(Nc4cnc(C(=O)N5CCCCC5)nc4)c4nccn34)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.49
GSK3B P49841 2/20 0.38
TP53BP1 Q12888 1/20 0.37
TBK1 Q9UHD2 2/20 0.34
MAPK14 Q16539 1/20 0.34
PRKCI P41743 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
TYK2 P29597 2/20 0.34
MKNK1 Q9BUB5 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
F9 P00740 1/20 0.33
EIF4E P06730 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SYK P43405 1/20 0.33
PTK6 Q13882 1/20 0.33

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
SCHEMBL14162498 0.92 MAPKAPK5 (0.57) MAPKAPK5GSK3BTBK1MAPK14TGFBR1
SCHEMBL10133643 0.90 MAPKAPK5 (0.49) MAPKAPK5GSK3BTP53BP1TBK1MAPK14
SCHEMBL10133647 0.89 MAPKAPK5 (0.51) MAPKAPK5GSK3BTP53BP1MAPK14TYK2
SCHEMBL10133626 0.87 MAPKAPK5 (0.54) MAPKAPK5GSK3BTP53BP1TBK1PRKCI
SCHEMBL10133621 0.84 MAPKAPK5 (0.55) MAPKAPK5GSK3BTBK1PRKCITGFBR1
SCHEMBL10133653 0.84 MAPKAPK5 (0.49) MAPKAPK5GSK3BTBK1PRKCITGFBR1
SCHEMBL1685144 0.83 MAPKAPK5 (0.47) MAPKAPK5GSK3BTP53BP1TYK2MKNK1
SCHEMBL10133624 0.83 MAPKAPK5 (0.66) MAPKAPK5GSK3BTBK1PRKCITGFBR1
SCHEMBL14162483 0.83 MAPKAPK5 (0.58) MAPKAPK5GSK3BTBK1MAPK14TYK2
SCHEMBL1685207 0.81 MAPKAPK5 (0.60) MAPKAPK5TBK1MAPK14TYK2MKNK1

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 19/4885GSK3B 2501/4885TP53BP1 446/4885

“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.