SCHEMBL13622732

SCHEMBL13622732

CC(C)(C)NS(=O)(=O)c1cc(N)cc(CCc2cccc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RORC P51449 3/20 0.40
TLR7 Q9NYK1 1/20 0.40
KIF18A Q8NI77 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL1076529 0.88 IDH1 (0.42) CA2CA1KIF18A
SCHEMBL13669912 0.87 KIF18A (0.38) CA2CA1KIF18A
SCHEMBL13622713 0.83 AURKA (0.48) CA2CA1AURKARPS6KB1CYP3A4
SCHEMBL13622734 0.82 JAK1 (0.45) KAT6AAURKARPS6KB1KIF18ASIRT2
SCHEMBL13622739 0.81 JAK2 (0.39) KAT6ACA2CA1AURKARPS6KB1
SCHEMBL1025622 0.79 CYP4F2 (0.44) AURKARPS6KB1CYP3A4CYP2C19TLR7
SCHEMBL1026264 0.77 LMNA (0.36)
SCHEMBL7156537 0.77 MGLL (0.52) CA1AURKARPS6KB1CYP3A4CYP2C19
SCHEMBL3864493 0.76 MMP1 (0.47) KAT6ACA2CA1AURKARPS6KB1
SCHEMBL31370757 0.75 AURKA (0.50) CA2CA1AURKARPS6KB1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KAT6A 865/4885CA2 1358/4885CA1 3319/4885

“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.