SCHEMBL489825

SCHEMBL489825

CC(Sc1nc(N)cc(N[C@H](C)CO[Si](C)(C)C(C)(C)C)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.39
MPO P05164 1/20 0.36
CXCR2 P25025 8/20 0.35
CX3CR1 P49238 4/20 0.35
ADORA1 P30542 1/20 0.35
NUDT1 P36639 1/20 0.33
POLB P06746 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL489827 1.00 ADORA3 (0.39) ADORA3MPOCXCR2CX3CR1ADORA1
SCHEMBL489746 0.84 RAB9A (0.50) ADORA3CXCR2POLB
SCHEMBL489904 0.78 CXCR2 (0.52) CXCR2
SCHEMBL489782 0.77 RAB9A (0.38) CXCR2
SCHEMBL490304 0.76 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL490117 0.76 CXCR2 (0.45) CXCR2
SCHEMBL489870 0.74 CXCR2 (0.54) CXCR2CX3CR1
SCHEMBL490295 0.74 CXCR2 (0.35) CXCR2CX3CR1
SCHEMBL30288319 0.69 CX3CR1 (0.53) CXCR2CX3CR1ADORA1
SCHEMBL29539623 0.69 CX3CR1 (0.72) CXCR2CX3CR1ADORA1

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 ADORA3 719/4885MPO 2196/4885CXCR2 38/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 ADORA3 719/4885MPO 2196/4885CXCR2 38/4885

“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.