SCHEMBL1685281

SCHEMBL1685281

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.45
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 4/20 0.37
TLR9 Q9NR96 3/20 0.37
TBK1 Q9UHD2 1/20 0.35
ROCK2 O75116 1/20 0.35
CASP3 P42574 1/20 0.34
CDK9 P50750 1/20 0.34
CASP7 P55210 1/20 0.34
NAMPT P43490 1/20 0.33
JAK2 O60674 5/20 0.33
ZAP70 P43403 2/20 0.33
CTSC P53634 1/20 0.32
PTK2 Q05397 2/20 0.32
JAK3 P52333 1/20 0.31

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
SCHEMBL1685140 0.89 MAPKAPK5 (0.47) MAPKAPK5TLR8TLR7TLR9ROCK2
SCHEMBL12618871 0.88 MAPKAPK5 (0.49) MAPKAPK5TLR8TLR7TLR9ROCK2
SCHEMBL1685275 0.87 MAPKAPK5 (0.57) MAPKAPK5ROCK2
SCHEMBL10134512 0.86 MAPKAPK5 (0.48) MAPKAPK5TLR8TLR7TLR9ROCK2
SCHEMBL12618865 0.85 MAPKAPK5 (0.45) MAPKAPK5TLR8TLR7TLR9TBK1
SCHEMBL10133578 0.85 MAPKAPK5 (0.49) MAPKAPK5ROCK2CDK9JAK2ZAP70
SCHEMBL10134523 0.85 MAPKAPK5 (0.49) MAPKAPK5ROCK2NAMPTJAK2PTK2
SCHEMBL12619378 0.85 MAPKAPK5 (0.46) MAPKAPK5TLR8TLR7TLR9ROCK2
SCHEMBL13922232 0.83 MAPKAPK5 (0.47) MAPKAPK5TLR8TLR7TLR9ROCK2
SCHEMBL12618850 0.83 MAPKAPK5 (0.44) MAPKAPK5TLR8TLR7TLR9NAMPT

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 19/4885TLR8 1940/4885TLR7 3285/4885
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK5 19/4885TLR8 1940/4885TLR7 3285/4885

“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.