SCHEMBL1685336

SCHEMBL1685336

CCOCCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.35
MAPKAPK2 P49137 1/20 0.35
NAMPT P43490 4/20 0.35
DRD3 P35462 3/20 0.34
DRD2 P14416 3/20 0.34
PLA2G2A P14555 1/20 0.34
RIPK1 Q13546 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PARP1 P09874 1/20 0.33
THRB P10828 1/20 0.33
ALK Q9UM73 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
SCHEMBL1685151 0.91 CCND1 (0.39) MAPKAPK2RIPK1LRRK2
SCHEMBL1685337 0.88 MAPKAPK5 (0.44) JAK1MAPKAPK2NAMPTPLA2G2ALRRK2
SCHEMBL1685123 0.85 MAPKAPK2 (0.34) MAPKAPK2DRD3RIPK1ALK
SCHEMBL1685148 0.85 HRH3 (0.38) MAPKAPK2RIPK1
SCHEMBL1685204 0.84 RIPK1 (0.43) JAK1RIPK1
SCHEMBL10166814 0.82 DRD2 (0.36) JAK1MAPKAPK2NAMPTDRD3DRD2
SCHEMBL1685173 0.81 MKNK1 (0.43)
SCHEMBL14162723 0.80 NAMPT (0.36) JAK1NAMPTDRD3DRD2THRB
SCHEMBL12618775 0.80 MAPKAPK5 (0.46) JAK1MAPKAPK2NAMPTDRD3DRD2
SCHEMBL3881243 0.80 CDK1 (0.39) JAK1

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 2 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-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 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 (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 JAK1 1529/4885MAPKAPK2 37/4885NAMPT 526/4885
US-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 JAK1 1529/4885MAPKAPK2 37/4885NAMPT 526/4885

“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.