SCHEMBL959381

SCHEMBL959381

CC(=O)Nc1cc2nc(CCc3cccc(F)c3F)cc(O)n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.51
PIK3CG P48736 1/20 0.42
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
RIPK1 Q13546 6/20 0.36
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
FYN P06241 3/20 0.33
DYRK1B Q9Y463 2/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK7 P50613 1/20 0.33
TYRO3 Q06418 1/20 0.33
LRRK2 Q5S007 1/20 0.33
AURKB Q96GD4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL956581 0.82 CXCR2 (0.57) CXCR2PIK3CG
SCHEMBL957633 0.81 CXCR2 (0.52) CXCR2
SCHEMBL958612 0.81 CXCR2 (0.46) CXCR2
SCHEMBL958516 0.79 CXCR2 (0.54) CXCR2PIK3CGADORA2AADORA3ADORA1
SCHEMBL956304 0.79 CXCR2 (0.72) CXCR2PIK3CGFYN
SCHEMBL954899 0.79 CXCR2 (0.54) CXCR2
SCHEMBL959542 0.78 CXCR2 (0.52) CXCR2ADORA3
SCHEMBL956726 0.78 CXCR2 (0.53) CXCR2JAK2TYK2
SCHEMBL956296 0.76 CXCR2 (0.56) CXCR2FYN
SCHEMBL955463 0.75 CXCR2 (0.42) CXCR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 CXCR2 1/4885PIK3CG 3541/4885ADORA2A 279/4885

“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.