SCHEMBL1024947

SCHEMBL1024947

Cc1cnc(Cl)nc1Nc1ccc(NC(=O)OC(C)(C)C)c(CCc2cncc(NC(=O)O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.37
EGFR P00533 6/20 0.36
ITK Q08881 1/20 0.36
SYK P43405 2/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
CDK1 P06493 1/20 0.34
SRC P12931 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
P2RX7 Q99572 1/20 0.33
JAK3 P52333 2/20 0.33
BRD4 O60885 2/20 0.33
BTK Q06187 2/20 0.33
JAK1 P23458 1/20 0.33
HDAC1 Q13547 1/20 0.33
AURKB Q96GD4 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
SCHEMBL13623074 0.97 P2RX3 (0.38) P2RX3EGFRITKSYKSTK17B
SCHEMBL4340593 0.94 STK17B (0.41) P2RX3EGFRSYKSTK17BSTK17A
SCHEMBL1024939 0.92 SYK (0.42) P2RX3EGFRITKSYKSTK17B
SCHEMBL4338777 0.90 EGFR (0.42) P2RX3EGFRITKSYKCDK1
SCHEMBL13622748 0.89 STK17B (0.43) P2RX3EGFRSYKSTK17BSTK17A
SCHEMBL1023940 0.88 P2RX3 (0.35) P2RX3EGFRITKSYKSTK17B
SCHEMBL13623071 0.88 SYK (0.46) P2RX3EGFRITKSYKSTK17B
SCHEMBL13623080 0.87 EGFR (0.43) P2RX3EGFRITKSYKCDK1
SCHEMBL2523055 0.84 STK17B (0.44) P2RX3EGFRITKSTK17BSTK17A
SCHEMBL1026903 0.84 STK17B (0.41) P2RX3EGFRSYKSTK17BSTK17A

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 P2RX3 3525/4885EGFR 180/4885ITK 379/4885

“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.