SCHEMBL3602549

SCHEMBL3602549

ON=Cc1c(Cl)nc(SCc2cccc(F)c2F)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.46
CCR7 P32248 7/20 0.46

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
SCHEMBL4073585 1.00 CXCR2 (0.46) CXCR2CCR7
SCHEMBL3602264 0.83 CXCR2 (0.44) CXCR2CCR7
SCHEMBL490032 0.76 CXCR2 (0.47) CXCR2CCR7
SCHEMBL3612371 0.75 CXCR2 (0.53) CXCR2CCR7
SCHEMBL6349608 0.75 CXCR2 (0.43) CXCR2CCR7
SCHEMBL4076717 0.74 CXCR2 (0.64) CXCR2CCR7
SCHEMBL490245 0.73 CXCR2 (0.50) CXCR2CCR7
SCHEMBL843318 0.71 CXCR2 (0.50) CXCR2CCR7
SCHEMBL7008307 0.71 CXCR2 (0.63) CXCR2CCR7
SCHEMBL3855926 0.70 CXCR2 (0.45) CXCR2CCR7

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 disclosed
EP-2086947-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2009-08-12 EP disclosed
US-7482355-B2 Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol ASTRAZENECA AB (SE) 2009-01-27 US disclosed
WO-2008061740-A1 PYRIMIDINES AND THEIR USE AS CXCR2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed
EP-1539713-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-12-19 EP disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 US disclosed
EP-1539713-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004018435-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-03-04 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 (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-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 CXCR2 1/4885CCR7 19/4885
US-20100063080-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CXCR2 1/4885CCR7 12/4885

“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.