SCHEMBL12779641

SCHEMBL12779641

CC[C@@H](Nc1nc2nonc2nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.75
CXCR1 P25024 17/20 0.75
CCR7 P32248 1/20 0.66
CCR6 P51684 1/20 0.66

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
SCHEMBL12845104 0.87 CXCR1 (0.74) CXCR2CXCR1CCR7CCR6
SCHEMBL14639802 0.86 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL12845105 0.86 CXCR2 (0.75) CXCR2CXCR1CCR7
SCHEMBL13208128 0.85 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL14639919 0.85 CXCR2 (0.54) CXCR2CXCR1CCR7CCR6
SCHEMBL14639812 0.84 CXCR2 (0.66) CXCR2CXCR1CCR7CCR6
SCHEMBL13207001 0.84 CXCR2 (0.77) CXCR2CXCR1CCR7CCR6
SCHEMBL13405672 0.80 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13405728 0.80 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13407418 0.80 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897606-B2 5,6-di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-03-01 US disclosed
US-7897606-B2 5,6-di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-03-01 US disclosed
EP-1907399-B1 5,6-DI-SUBSTITUTED OXADIAZOLOPYRAZINES AND THIADIAZOLOPYRAZINES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2010-10-27 EP disclosed
US-20070015731-A1 5,6-Di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
US-20070015731-A1 5,6-Di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
WO-2007005403-A1 5,6-DI-SUBSTITUTED OXADIAZOLOPYRAZINES AND THIADIAZOLOPYRAZINES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2007-01-11 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-20070015731-A1 5,6-Di-substituted oxadiazolopyrazines and thiadiazolopyrazines as CXC-chemokine receptor ligands CXCR5, CCR5, CXCR1 CXCR2 4/4885CXCR1 3/4885CCR7 11/4885

“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.