SCHEMBL3611208

SCHEMBL3611208

N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.49
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM5 P08912 1/20 0.40
CX3CR1 P49238 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3606012 0.89 CXCR2 (0.54) CXCR2MEN1ALDH1A1KMT2ACHRM5
SCHEMBL3599639 0.89 CXCR2 (0.61) CXCR2MEN1ALDH1A1KMT2AADORA2A
SCHEMBL3611711 0.86 CXCR2 (0.53) CXCR2ADORA2AADORA1CHRM5CX3CR1
SCHEMBL3594813 0.85 CXCR2 (0.66) CXCR2MEN1ALDH1A1KMT2AADORA2A
SCHEMBL14214572 0.85 CXCR2 (0.43) CXCR2SMN1; SMN2NPC1STAT1RAB9A
SCHEMBL3605175 0.84 CXCR2 (0.65) CXCR2CHRM5CX3CR1
SCHEMBL13444972 0.84 CXCR2 (0.63) CXCR2MEN1ALDH1A1KMT2AADORA1
SCHEMBL13444973 0.84 CXCR2 (0.63) CXCR2KMT2ACHRM5CX3CR1
SCHEMBL3608861 0.82 CXCR2 (0.49) CXCR2ADORA2AADORA1CHRM5CX3CR1
SCHEMBL3606153 0.81 CXCR2 (0.54) CXCR2ADORA1CHRM5CX3CR1

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 8 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
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
US-20100063080-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-11 US disclosed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 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-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CXCR2 1/4885SMN1; SMN2 4573/4885MEN1 4669/4885

“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.