Sugi Predict

Sugi Predict / Compounds / SCHEMBL213960

SCHEMBL213960

SCHEMBL213960

COc1nc2nc(SSc3nc(N[C@@H](CO)CC(C)C)c4sc(OC)nc4n3)nc(N[C@@H](CO)CC(C)C)c2s1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CX3CR1 P49238 20/20 0.54
▸ CXCR2 P25025 19/20 0.54
▸ ADORA1 P30542 1/20 0.52

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
SCHEMBL12022709 1.00 CX3CR1 (0.54) CX3CR1CXCR2ADORA1
SCHEMBL213959 0.87 CX3CR1 (0.44) CX3CR1CXCR2ADORA1
SCHEMBL12022728 0.86 CXCR2 (0.52) CX3CR1CXCR2ADORA1
SCHEMBL213689 0.86 CXCR2 (0.52) CX3CR1CXCR2ADORA1
SCHEMBL213688 0.86 CXCR2 (0.52) CX3CR1CXCR2ADORA1
SCHEMBL213496 0.84 CX3CR1 (0.76) CX3CR1CXCR2ADORA1
SCHEMBL213969 0.84 CX3CR1 (0.76) CX3CR1CXCR2ADORA1
SCHEMBL213475 0.84 CX3CR1 (0.76) CX3CR1CXCR2ADORA1
SCHEMBL5446092 0.84 CX3CR1 (0.76) CX3CR1CXCR2
SCHEMBL12568518 0.83 CX3CR1 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088780-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2012-01-03 — — US disclosed
EP-2069364-B1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-14 — — EP disclosed
US-7960395-B2 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2011-06-14 — — US disclosed
US-20110105537-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2011-05-05 — — 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-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

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-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-20080318981-A1 Novel Compounds 480 CX3CR1, CCR2, CXCR3 CX3CR1 1/4885CXCR2 6/4885ADORA1 188/4885
US-20110105537-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS CX3CR1, CCR2, CXCR3 CX3CR1 1/4885CXCR2 5/4885ADORA1 109/4885
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.