SCHEMBL490295

SCHEMBL490295

COc1ccc(CSc2nc(N)cc(N[C@H](C)CO[Si](C)(C)C(C)(C)C)n2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
METAP2 P50579 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CX3CR1 P49238 1/20 0.32
DCK P27707 2/20 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
SCHEMBL489904 0.84 CXCR2 (0.52) CXCR2
SCHEMBL489782 0.83 RAB9A (0.38) CXCR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL489870 0.80 CXCR2 (0.54) CXCR2CX3CR1
SCHEMBL489746 0.80 RAB9A (0.50) CXCR2NPC1RAB9ASMN1; SMN2
SCHEMBL490304 0.78 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL490117 0.76 CXCR2 (0.45) CXCR2NPC1RAB9ALMNAMAPT
SCHEMBL489825 0.74 ADORA3 (0.39) CXCR2CX3CR1
SCHEMBL489827 0.74 ADORA3 (0.39) CXCR2CX3CR1
SCHEMBL489972 0.73 RAB9A (0.45) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL489924 0.71 CXCR2 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 CXCR2 38/4885NPC1 2790/4885RAB9A 1335/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885NPC1 2790/4885RAB9A 1335/4885

“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.