SCHEMBL2523055

SCHEMBL2523055

CC(C)(C)OC(=O)Nc1ccc(CNc2nc(Cl)ncc2Cl)cc1CCc1cncc(NC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
JAK3 P52333 12/20 0.36
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36
P2RX3 P56373 1/20 0.33
CCNT1 O60563 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TTK P33981 2/20 0.33
EGFR P00533 1/20 0.33
FLT3 P36888 1/20 0.33
TXK P42681 1/20 0.33
BLK P51451 1/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL12209872 0.96 STK17B (0.46) STK17BSTK17AJAK3AURKARPS6KB1
SCHEMBL4340593 0.89 STK17B (0.41) STK17BSTK17AP2RX3EGFRMAPKAPK2
SCHEMBL2523025 0.87 STK17B (0.42) STK17BSTK17AJAK3AURKARPS6KB1
SCHEMBL13622748 0.85 STK17B (0.43) STK17BSTK17AP2RX3EGFRMAPKAPK2
SCHEMBL1024947 0.84 P2RX3 (0.37) STK17BSTK17AJAK3P2RX3JAK1
SCHEMBL1024939 0.83 SYK (0.42) STK17BSTK17AP2RX3EGFRITK
SCHEMBL13623074 0.81 P2RX3 (0.38) STK17BSTK17AP2RX3JAK1EGFR
SCHEMBL2520952 0.81 CYP17A1 (0.38) P2RX7
SCHEMBL1026903 0.79 STK17B (0.41) STK17BSTK17AP2RX3EGFRBTK
SCHEMBL13623071 0.78 SYK (0.46) STK17BSTK17AP2RX3EGFRITK

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-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 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 (2 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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK STK17B 139/4885STK17A 74/4885JAK3 4/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK STK17B 139/4885STK17A 74/4885JAK3 4/4885

“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.