SCHEMBL957633

SCHEMBL957633

O=C(O)c1cc2nc(CCc3cccc(F)c3F)cc(O)n2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.52
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.41
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
TTR P02766 1/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
P2RY14 Q15391 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALKBH1 Q13686 1/20 0.32
GAA P10253 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
SCHEMBL959542 0.86 CXCR2 (0.52) CXCR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL956259 0.84 CXCR2 (0.44) CXCR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL956726 0.83 CXCR2 (0.53) CXCR2
SCHEMBL956581 0.83 CXCR2 (0.57) CXCR2KDM4EALDH1A1MAPTMEN1
SCHEMBL956304 0.83 CXCR2 (0.72) CXCR2MAOB
SCHEMBL958516 0.83 CXCR2 (0.54) CXCR2ALDH1A1MEN1KMT2A
SCHEMBL954899 0.82 CXCR2 (0.54) CXCR2MAOB
SCHEMBL956296 0.81 CXCR2 (0.56) CXCR2GAA
SCHEMBL959381 0.81 CXCR2 (0.51) CXCR2
SCHEMBL955463 0.80 CXCR2 (0.42) CXCR2KDM4EALDH1A1HSD17B10HPGD

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 1/4885KDM4E 2176/4885ALDH1A1 1082/4885

“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.