SCHEMBL10166846

SCHEMBL10166846

CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNCO4)n3ccnc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.33
TYK2 P29597 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
FYN P06241 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL10166432 0.90 MAPKAPK5 (0.35) MAPKAPK5OPRD1KCNH2
SCHEMBL10165787 0.89 FYN (0.37) MAPKAPK5FYN
SCHEMBL10166154 0.86 NAMPT (0.39) MAPKAPK5RAB9A
SCHEMBL1685111 0.85 MAPKAPK5 (0.45) MAPKAPK5TYK2TLR9TLR8TLR7
SCHEMBL10166148 0.84 POLB (0.40) FYNKCNH2
SCHEMBL10166838 0.84 FYN (0.45) FYN
SCHEMBL10166840 0.83 FYN (0.46) FYN
SCHEMBL12618772 0.81 MAPKAPK5 (0.44) MAPKAPK5TYK2TLR9TLR8TLR7
SCHEMBL10166437 0.81 CCND1 (0.37) MAPKAPK5TLR9TLR8TLR7
SCHEMBL10166155 0.81 TTK (0.35) MAPKAPK5FYN

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 19/4885TYK2 67/4885TLR9 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.