SCHEMBL13622739

SCHEMBL13622739

CC(C)(C)NS(=O)(=O)c1cc(CCc2cccc(NC(=O)OC(C)(C)C)c2)cc(Nc2nc(Cl)ncc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.39
SYK P43405 1/20 0.39
JAK1 P23458 4/20 0.38
HDAC1 Q13547 4/20 0.38
KIF18A Q8NI77 1/20 0.37
JAK3 P52333 3/20 0.37
HDAC3 O15379 2/20 0.37
TYK2 P29597 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL13622734 0.92 JAK1 (0.45) JAK2SYKJAK1HDAC1KIF18A
SCHEMBL1027178 0.91 JAK2 (0.41) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL13622715 0.88 SYK (0.48) SYKAURKARPS6KB1SIRT2CDK1
SCHEMBL4341601 0.82 JAK1 (0.47) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL13622732 0.81 KAT6A (0.41) KIF18AAURKARPS6KB1SIRT2KAT6A
SCHEMBL4166343 0.81 SYK (0.55) SYKHDAC1HDAC3HDAC2HDAC8
SCHEMBL29537952 0.81 SYK (0.55) SYKHDAC1HDAC3HDAC2HDAC8
SCHEMBL30306489 0.78 BRD4 (0.52) JAK2JAK1HDAC1JAK3HDAC3
SCHEMBL1024314 0.76 JAK1 (0.43) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL1024064 0.76 STK17B (0.43) SYKHDAC1JAK3HDAC3HDAC2

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 JAK2 1/4885SYK 46/4885JAK1 2/4885

“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.