SCHEMBL3607552

SCHEMBL3607552

CCC(C)c1nc(SCc2cccc(F)c2F)nc(O)c1C#N.N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1-c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.46
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CCR7 P32248 2/20 0.37
ADORA2B P29275 1/20 0.36

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
SCHEMBL3606369 0.89 CXCR2 (0.51) CXCR2CCR7
SCHEMBL3611711 0.89 CXCR2 (0.53) CXCR2ADORA2AADORA1ADORA2B
SCHEMBL3605175 0.82 CXCR2 (0.65) CXCR2
SCHEMBL3614058 0.81 CXCR2 (0.61) CXCR2CCR7
SCHEMBL3599639 0.81 CXCR2 (0.61) CXCR2ADORA2AADORA1
SCHEMBL3594813 0.80 CXCR2 (0.66) CXCR2ADORA2AADORA1
SCHEMBL3606153 0.80 CXCR2 (0.54) CXCR2ADORA1
SCHEMBL13444973 0.78 CXCR2 (0.63) CXCR2
SCHEMBL13444963 0.78 CXCR2 (0.51) CXCR2
SCHEMBL3607371 0.77 CXCR2 (0.68) 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-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US claimed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 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 (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-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CXCR2 1/4885ADORA2A 409/4885ADORA1 621/4885

“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.