SCHEMBL3608627

SCHEMBL3608627

COc1ccc(-c2nc(SCc3cccc(F)c3F)nc(O)c2C#N)cc1C

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.69
BRD4 O60885 6/20 0.43
DCUN1D1 Q96GG9 2/20 0.42
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3606153 0.90 CXCR2 (0.54) CXCR2LMNAPKMTDP1L3MBTL1
SCHEMBL3610346 0.86 CXCR2 (0.65) CXCR2BRD4DCUN1D1
SCHEMBL3605175 0.85 CXCR2 (0.65) CXCR2DCUN1D1LMNAPKMTDP1
SCHEMBL13444973 0.85 CXCR2 (0.63) CXCR2DCUN1D1
SCHEMBL3611711 0.83 CXCR2 (0.53) CXCR2
SCHEMBL3594813 0.83 CXCR2 (0.66) CXCR2
SCHEMBL13444963 0.82 CXCR2 (0.51) CXCR2DCUN1D1
SCHEMBL3599639 0.82 CXCR2 (0.61) CXCR2
SCHEMBL13444972 0.81 CXCR2 (0.63) CXCR2
SCHEMBL3601099 0.81 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 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 1/4885BRD4 2479/4885DCUN1D1 3179/4885

“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.