SCHEMBL841656

SCHEMBL841656

CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(Br)sc12

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.81
CXCR1 P25024 1/20 0.81
CCR7 P32248 1/20 0.66
CX3CR1 P49238 1/20 0.54

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
SCHEMBL6869113 0.90 CXCR2 (0.80) CXCR2CXCR1CCR7CX3CR1
SCHEMBL842193 0.90 CXCR2 (1.00) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6865142 0.88 CXCR2 (0.77) CXCR2CXCR1CCR7CX3CR1
SCHEMBL842950 0.88 CXCR2 (0.77) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6869265 0.87 CXCR2 (0.76) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6864061 0.86 CXCR2 (0.75) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6866072 0.86 CXCR2 (0.75) CXCR2CXCR1CCR7CX3CR1
SCHEMBL7826847 0.86 CXCR2 (0.75) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6866426 0.86 CXCR2 (0.73) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6866274 0.86 CXCR2 (0.73) CXCR2CXCR1CCR7CX3CR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790850-B1 Thiazolo(4,5-d)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-14 US claimed
EP-1222195-B1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-01-14 EP claimed
US-8143261-B2 Thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS ASTRAZENECA UK LIMITED 2009-11-12 US disclosed
EP-1348709-B1 Thiazolo[4,5-d]pyrimidine compounds for the treatment of rheumatoid arthritis ASTRAZENECA UK LTD (GB) 2008-01-16 EP disclosed
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA UK LIMITED, A BRITISH CORPORATION 2004-11-11 US disclosed
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed
US-6790850-B1 Thiazolo(4,5-d)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-14 US disclosed
EP-1222195-B1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-01-14 EP disclosed
EP-1348709-A2 Thiazolo (4,5-D) pyrimidine compounds AstraZeneca UK Limited (GB) 2003-10-01 EP disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
EP-1222195-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2002-07-17 EP disclosed
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP disclosed
WO-2001025242-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2001-04-12 WO disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 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-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds TYMS, DPYD, TYMP CXCR2 378/4885CXCR1 318/4885CCR7 2446/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT CXCR2 195/4885CXCR1 265/4885CCR7 2249/4885

“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.