SCHEMBL1685140

SCHEMBL1685140

O=c1cc(-c2ccc(Nc3ccc(C4CCN(CCF)CC4)cc3)c3nccn23)cc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.47
ROCK2 O75116 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ZAP70 P43403 2/20 0.34
WEE1 P30291 1/20 0.34
JAK2 O60674 7/20 0.33
PTK2 Q05397 6/20 0.33
CHEK1 O14757 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
AKT1 P31749 1/20 0.32
JAK3 P52333 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
SCHEMBL12618871 0.92 MAPKAPK5 (0.49) MAPKAPK5ROCK2TLR9TLR8TLR7
SCHEMBL1685281 0.89 MAPKAPK5 (0.45) MAPKAPK5ROCK2TLR9TLR8TLR7
SCHEMBL10134523 0.86 MAPKAPK5 (0.49) MAPKAPK5ROCK2WEE1JAK2PTK2
SCHEMBL10133578 0.86 MAPKAPK5 (0.49) MAPKAPK5ROCK2ZAP70WEE1JAK2
SCHEMBL10134512 0.85 MAPKAPK5 (0.48) MAPKAPK5ROCK2TLR9TLR8TLR7
SCHEMBL12618865 0.85 MAPKAPK5 (0.45) MAPKAPK5ROCK2TLR9TLR8TLR7
SCHEMBL12619378 0.84 MAPKAPK5 (0.46) MAPKAPK5ROCK2TLR9TLR8TLR7
SCHEMBL13922232 0.82 MAPKAPK5 (0.47) MAPKAPK5ROCK2TLR9TLR8TLR7
SCHEMBL13922281 0.82 MAPKAPK5 (0.45) MAPKAPK5ROCK2ZAP70WEE1JAK2
SCHEMBL12618850 0.82 MAPKAPK5 (0.44) MAPKAPK5TLR9TLR8TLR7CHEK1

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 10 patents. 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
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 US disclosed
US-20120010206-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N. V. (BE) 2012-01-12 US disclosed
US-7951818-B2 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-05-31 US disclosed
US-7951818-B2 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-05-31 US disclosed
US-7951818-B2 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-05-31 US disclosed
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 US disclosed
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 US disclosed
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 US disclosed
WO-2008065199-A1 IMIDAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO 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 (2 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 19/4885ROCK2 1106/4885TLR9 2876/4885
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK5 19/4885ROCK2 1106/4885TLR9 2876/4885

“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.