SCHEMBL1027178

SCHEMBL1027178

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
JAK1 P23458 6/20 0.39
HDAC1 Q13547 6/20 0.39
KIF18A Q8NI77 4/20 0.39
JAK3 P52333 3/20 0.39
HDAC3 O15379 2/20 0.39
TYK2 P29597 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
BRD4 O60885 7/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4341601 0.92 JAK1 (0.47) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL13622739 0.91 JAK2 (0.39) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL1024631 0.84 BTK (0.44) JAK3MEN1KMT2A
SCHEMBL13622734 0.82 JAK1 (0.45) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL30306489 0.80 BRD4 (0.52) JAK2JAK1HDAC1JAK3HDAC3
SCHEMBL1024314 0.80 JAK1 (0.43) JAK2JAK1HDAC1KIF18AJAK3
SCHEMBL1076529 0.79 IDH1 (0.42) KIF18AMEN1KMT2A
SCHEMBL13622715 0.76 SYK (0.48) BRD4MEN1KMT2A
SCHEMBL15994648 0.76 BTK (0.49) JAK3MEN1KMT2A
SCHEMBL30306430 0.72 BRD4 (0.61) JAK2JAK1HDAC1JAK3HDAC3

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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 1/4885JAK1 2/4885HDAC1 315/4885

“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.