SCHEMBL10166432

SCHEMBL10166432

CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNCO4)n3ccnc23)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.35
KCNH2 Q12809 2/20 0.32
CYP2D6 P10635 1/20 0.32
OPRD1 P41143 1/20 0.32
AKT1 P31749 1/20 0.30
CDK2 P24941 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
SCHEMBL10166846 0.90 MAPKAPK5 (0.33) MAPKAPK5KCNH2OPRD1
SCHEMBL1685240 0.86 MAPKAPK5 (0.41) MAPKAPK5KCNH2CDK2
SCHEMBL10166023 0.80 CSF1R (0.39) MAPKAPK5
SCHEMBL10165787 0.80 FYN (0.37) MAPKAPK5CYP2D6CDK2
SCHEMBL10166168 0.80 PTK6 (0.38) MAPKAPK5
SCHEMBL13922249 0.78 MAPKAPK5 (0.42) MAPKAPK5
SCHEMBL10166154 0.77 NAMPT (0.39) MAPKAPK5
SCHEMBL10166148 0.77 POLB (0.40) KCNH2
SCHEMBL10166838 0.77 FYN (0.45)
SCHEMBL10166840 0.76 FYN (0.46)

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 19/4885KCNH2 1598/4885CYP2D6 3287/4885

“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.