SCHEMBL489782

SCHEMBL489782

C[C@H](CO[Si](C)(C)C(C)(C)C)Nc1cc(N)nc(SCc2ccc(F)c(F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CXCR2 P25025 6/20 0.36
METAP2 P50579 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL489746 0.86 RAB9A (0.50) RAB9ANPC1TP53CXCR2SMN1; SMN2
SCHEMBL490117 0.86 CXCR2 (0.45) RAB9ANPC1MEN1KMT2ACXCR2
SCHEMBL489904 0.84 CXCR2 (0.52) CXCR2
SCHEMBL490295 0.83 CXCR2 (0.35) RAB9ANPC1MEN1KMT2ACXCR2
SCHEMBL489870 0.81 CXCR2 (0.54) CXCR2
SCHEMBL490304 0.79 CXCR2 (0.52) CXCR2
SCHEMBL489827 0.77 ADORA3 (0.39) CXCR2
SCHEMBL489825 0.77 ADORA3 (0.39) CXCR2
SCHEMBL489948 0.72 CXCR2 (0.69) CXCR2
SCHEMBL4085933 0.70 CXCR2 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1335/4885NPC1 2790/4885MEN1 3586/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 RAB9A 1335/4885NPC1 2790/4885MEN1 3586/4885

“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.