SCHEMBL842444

SCHEMBL842444

C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 1.00
CX3CR1 P49238 11/20 1.00

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
SCHEMBL842445 1.00 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL5438228 0.90 CX3CR1 (1.00) CXCR2CX3CR1
SCHEMBL5236760 0.90 CX3CR1 (1.00) CXCR2CX3CR1
SCHEMBL4484779 0.89 CXCR2 (0.88) CXCR2CX3CR1
SCHEMBL4485993 0.89 CXCR2 (0.81) CXCR2CX3CR1
SCHEMBL6866174 0.89 CXCR2 (0.81) CXCR2CX3CR1
SCHEMBL842707 0.88 CXCR2 (0.79) CXCR2CX3CR1
SCHEMBL842708 0.88 CXCR2 (0.79) CXCR2CX3CR1
SCHEMBL4502972 0.88 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL4497250 0.88 CXCR2 (0.80) CXCR2CX3CR1

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 12 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-20090305321-A1 Assays for Allosteric Modulators of G-Protein Coupled Receptors (GPCRs) ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090305321-A1 Assays for Allosteric Modulators of G-Protein Coupled Receptors (GPCRs) ASTRAZENECA AB (SE) 2009-12-10 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-6958343-B2 Thiazolopyrimidines and their use as modulators of chemokine receptor activity ASTRAZENECA, AB (SE) 2005-10-25 US 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-1257556-B1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-06-16 EP 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
US-20030032642-A1 Thiazolopyrimidines and thier use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2003-02-13 US 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 (3 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 378/4885CX3CR1 2551/4885
US-20030032642-A1 Thiazolopyrimidines and thier use as modulators of chemokine receptor activity CCR5, CCR2, CXCR4 CXCR2 5/4885CX3CR1 9/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT CXCR2 195/4885CX3CR1 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.