SCHEMBL10166841

SCHEMBL10166841

CC(=O)N(C)C1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNCO5)n4ccnc34)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 9/20 0.39
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
IKBKG Q9Y6K9 1/20 0.34
PDK2 Q15119 1/20 0.34
ATR Q13535 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.33
CDK1 P06493 3/20 0.33
CDK2 P24941 3/20 0.33
MCHR1 Q99705 1/20 0.33
JAK2 O60674 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL10166405 0.94 IKBKB (0.38) IKBKBCHUKIKBKGATRCDK1
SCHEMBL1685118 0.86 MAPKAPK5 (0.44) VNN1IKBKBCHUKIKBKGPDK2
SCHEMBL10166425 0.85 ALDH1A1 (0.41) MAPKAPK5
SCHEMBL10166023 0.84 CSF1R (0.39) ATRMAPKAPK5JAK2PIK3CAMTOR
SCHEMBL10166356 0.84 L3MBTL3 (0.42) IKBKBCHUKIKBKGPIK3CAMTOR
SCHEMBL10166412 0.84 L3MBTL3 (0.37) IKBKBCHUKIKBKGJAK2PIK3CA
SCHEMBL10166351 0.84 MAPKAPK5 (0.43) MAPKAPK5JAK2
SCHEMBL10166430 0.83 ADRA1A (0.40) IKBKBCHUKIKBKGJAK2
SCHEMBL10165787 0.83 FYN (0.37) MAPKAPK5CDK1CDK2
SCHEMBL10166437 0.83 CCND1 (0.37) MAPKAPK5PIK3CAMTOR

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 VNN1 775/4885IKBKB 135/4885CHUK 235/4885

“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.