SCHEMBL13622734

SCHEMBL13622734

CC(C)(C)NS(=O)(=O)c1cc(CCc2cccc(NC(=O)OC(C)(C)C)c2)cc(Nc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.45
HDAC1 Q13547 2/20 0.45
BRD4 O60885 3/20 0.42
NUAK1 O60285 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
SYK P43405 1/20 0.40
MET P08581 1/20 0.38
JAK2 O60674 3/20 0.38
KIF18A Q8NI77 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
BTK Q06187 2/20 0.38
JAK3 P52333 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
CDK1 P06493 1/20 0.37
KAT6A Q92794 1/20 0.37

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
SCHEMBL13622739 0.92 JAK2 (0.39) JAK1HDAC1BRD4SYKJAK2
SCHEMBL4341601 0.90 JAK1 (0.47) JAK1HDAC1BRD4NUAK1JAK2
SCHEMBL1024064 0.84 STK17B (0.43) HDAC1BRD4STK17BSTK17ASYK
SCHEMBL1024314 0.83 JAK1 (0.43) JAK1HDAC1BRD4NUAK1JAK2
SCHEMBL1027178 0.82 JAK2 (0.41) JAK1HDAC1BRD4JAK2KIF18A
SCHEMBL13622732 0.82 KAT6A (0.41) KIF18AAURKARPS6KB1SIRT2KAT6A
SCHEMBL13623059 0.81 STK17B (0.46) BRD4STK17BSTK17ASYKMET
SCHEMBL13623027 0.81 SYK (0.44) BRD4STK17BSTK17ASYKMET
SCHEMBL13623203 0.81 MET (0.48) BRD4STK17BSTK17ASYKMET
SCHEMBL13622745 0.80 SYK (0.43) BRD4STK17BSTK17ASYKMET

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 JAK1 2/4885HDAC1 315/4885BRD4 342/4885

“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.