SCHEMBL1854467

SCHEMBL1854467

COc1nc2nc(S[C@@H](C)c3ccc(Cl)cn3)nc(N[C@@H](CO)CC(C)C)c2s1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 20/20 0.61
CXCR2 P25025 18/20 0.61
ADORA1 P30542 1/20 0.53

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
SCHEMBL1856003 0.90 CX3CR1 (0.55) CX3CR1CXCR2ADORA1
SCHEMBL1852446 0.90 CX3CR1 (0.65) CX3CR1CXCR2ADORA1
SCHEMBL23828014 0.88 CX3CR1 (0.78) CX3CR1CXCR2ADORA1
SCHEMBL1854837 0.88 CX3CR1 (0.78) CX3CR1CXCR2ADORA1
SCHEMBL23828016 0.88 CX3CR1 (0.78) CX3CR1CXCR2ADORA1
SCHEMBL31199199 0.88 CX3CR1 (0.78) CX3CR1CXCR2ADORA1
SCHEMBL213496 0.82 CX3CR1 (0.76) CX3CR1CXCR2ADORA1
SCHEMBL213969 0.82 CX3CR1 (0.76) CX3CR1CXCR2ADORA1
SCHEMBL213475 0.82 CX3CR1 (0.76) CX3CR1CXCR2ADORA1
SCHEMBL1854158 0.81 CX3CR1 (0.61) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-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-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-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318981-A1 Novel Compounds 480 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO 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-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

“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.