SCHEMBL842322

SCHEMBL842322

Nc1nc2[nH]c(SCc3cccc(F)c3F)nc(=O)c2s1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.70
CXCR1 P25024 1/20 0.46
CHRM5 P08912 1/20 0.45
CX3CR1 P49238 1/20 0.45

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
SCHEMBL4236680 0.91 CXCR2 (0.57) CXCR2CX3CR1
SCHEMBL6863822 0.90 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL6863908 0.89 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL6997947 0.88 CXCR2 (0.56) CXCR2CHRM5CX3CR1
SCHEMBL6866063 0.83 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL6866731 0.83 CXCR2 (0.52) CXCR2CHRM5CX3CR1
SCHEMBL4225334 0.82 CXCR2 (1.00) CXCR2CXCR1CHRM5CX3CR1
SCHEMBL6865630 0.82 CXCR2 (0.47) CXCR2
SCHEMBL6868880 0.82 CXCR2 (0.47) CXCR2CX3CR1
SCHEMBL6866758 0.82 MEN1 (0.57) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 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-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity BONNERT ROGER 2006-05-25 US disclosed
US-6949643-B2 Thiazolopytimidines and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-09-27 US disclosed
EP-1385854-B1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-02-09 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
US-20040157853-A1 Thiazolopytimidines and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-08-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060111569-A1 Thiazolopyrimidines and their use as modulators of chemokine receptor activity CXCR2, CCR5, CXCR1 CXCR2 1/4885CXCR1 3/4885CHRM5 1442/4885
US-20040157853-A1 Thiazolopytimidines and their use as modulators of chemokine receptor activity CCR5, CCR2, CX3CR1 CXCR2 5/4885CXCR1 4/4885CHRM5 147/4885
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds TYMS, DPYD, TYMP CXCR2 378/4885CXCR1 318/4885CHRM5 3953/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT CXCR2 195/4885CXCR1 265/4885CHRM5 4272/4885

“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.