SCHEMBL841938

SCHEMBL841938

CS(=O)(=O)NCCNc1nc(SCc2cccc(F)c2F)nc2nc(Br)sc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.57
CXCR1 P25024 1/20 0.50
CX3CR1 P49238 1/20 0.49
CCR7 P32248 3/20 0.47

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
SCHEMBL4483569 0.90 CXCR2 (0.63) CXCR2CXCR1CX3CR1
SCHEMBL841425 0.89 CXCR2 (0.55) CXCR2CXCR1CX3CR1CCR7
SCHEMBL841365 0.85 CXCR2 (0.64) CXCR2CXCR1CX3CR1CCR7
SCHEMBL840891 0.83 CXCR2 (0.64) CXCR2CXCR1CX3CR1CCR7
SCHEMBL842743 0.80 CXCR2 (0.54) CXCR2CXCR1CX3CR1CCR7
SCHEMBL841965 0.77 CXCR2 (0.81) CXCR2CX3CR1CCR7
SCHEMBL841656 0.77 CXCR2 (0.81) CXCR2CXCR1CX3CR1CCR7
SCHEMBL842094 0.76 CXCR2 (0.80) CXCR2CXCR1CX3CR1CCR7
SCHEMBL6865488 0.75 CXCR2 (0.69) CXCR2CXCR1CX3CR1CCR7
SCHEMBL843318 0.75 CXCR2 (0.50) CXCR2CXCR1CX3CR1CCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 318/4885CX3CR1 2551/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT CXCR2 195/4885CXCR1 265/4885CX3CR1 2122/4885

“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.