SCHEMBL212592

SCHEMBL212592

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

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 20/20 0.60
CXCR2 P25025 19/20 0.60
ADORA1 P30542 1/20 0.60

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
SCHEMBL5235885 1.00 CX3CR1 (0.60) CX3CR1CXCR2ADORA1
SCHEMBL212314 0.85 CXCR2 (0.60) CX3CR1CXCR2ADORA1
SCHEMBL6624755 0.84 CXCR2 (0.57) CX3CR1CXCR2ADORA1
SCHEMBL843148 0.84 CXCR2 (0.57) CX3CR1CXCR2ADORA1
SCHEMBL5435212 0.83 CXCR2 (0.53) CX3CR1CXCR2ADORA1
SCHEMBL21615424 0.79 CX3CR1 (0.70) CX3CR1CXCR2ADORA1
SCHEMBL14490078 0.76 CX3CR1 (0.75) CX3CR1CXCR2ADORA1
Azd-8797 SCHEMBL23528828 0.75 CX3CR1 (1.00) CX3CR1CXCR2ADORA1
SCHEMBL5233299 0.75 CX3CR1 (1.00) CX3CR1CXCR2
Azd-8797 SCHEMBL30914151 0.75 CX3CR1 (1.00) CX3CR1CXCR2ADORA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339183-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 KANCERA AB (SE) 2022-05-24 US disclosed
US-20210340167-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-11-04 US disclosed
US-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-09-23 US disclosed
WO-2020008064-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2020-01-09 WO disclosed
US-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) THE JOHNS HOPKINS UNIVERSITY (US) 2018-08-09 US disclosed
US-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) THE JOHNS HOPKINS UNIVERSITY (US) 2018-08-09 US disclosed
US-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) THE JOHNS HOPKINS UNIVERSITY (US) 2018-08-09 US disclosed
WO-2016200939-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-15 WO disclosed
US-9440992-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines as chemokine inhibitors Acturum Life Science AB (SE) 2016-09-13 US disclosed
US-8158785-B2 5,7-disubstituted[1.3]thiazolo [4,5-D] pyrimidin-2(3H)-amine derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110092519-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES AS CHEMOKINE INHIBITORS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-1869056-B1 NOVEL 5-SUBSTITUTED 7-AMINO-Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-11-10 EP disclosed
US-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2010-02-11 US disclosed
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 ACTURUM REAL ESTATE AB (SE) 2008-09-04 US disclosed
EP-1377590-B1 THIAZOLOPYRIMIDINE DERIVATIVES AND USE THEREOF AS ANTAGONISTS OF THE CX3CR1 RECEPTOR ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 ASTRAZENECA (SE) 2007-06-21 US disclosed
US-7067657-B2 Thiazolopyrimidine derivatives and use thereof as antagonists of the CX3 CR1 receptor ASTRAZENECA AB (SE) 2006-06-27 US disclosed
US-20040106628-A1 Novel use ASTRAZENECA AB (SE) 2004-06-03 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 (11 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-20070142386-A1 New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 CX3CR1, CCR2, CXCR4 CX3CR1 1/4885CXCR2 6/4885ADORA1 140/4885
US-20110092519-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES AS CHEMOKINE INHIBITORS CX3CR1, CCR2, CXCR3 CX3CR1 1/4885CXCR2 6/4885ADORA1 60/4885
US-11339183-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 CX3CR1, CCR5, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 54/4885
US-20080318981-A1 Novel Compounds 480 CX3CR1, CCR2, CXCR3 CX3CR1 1/4885CXCR2 6/4885ADORA1 188/4885
US-20180222922-A1 RADIOFLUORINATED 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES FOR IMAGING FRACTALKINE RECEPTOR (CX3CR1) CX3CR1, CXCR3, CXCR5 CX3CR1 1/4885CXCR2 15/4885ADORA1 441/4885
US-20210340167-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CCR5, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 54/4885
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 CX3CR1, CCR2, CXCR3 CX3CR1 1/4885CXCR2 11/4885ADORA1 69/4885
US-20100035899-A1 5,7-DISUBSTITUTED[1.3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY CX3CR1, CCR2, CXCR3 CX3CR1 1/4885CXCR2 8/4885ADORA1 83/4885
US-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CXCR3, CXCR1 CX3CR1 1/4885CXCR2 16/4885ADORA1 49/4885
US-20040106628-A1 Novel use CX3CR1, CNR1, ARRB1 CX3CR1 1/4885CXCR2 24/4885ADORA1 21/4885
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 CX3CR1, CCR2, CCR5 CX3CR1 1/4885CXCR2 5/4885ADORA1 85/4885

“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.