SCHEMBL215983

SCHEMBL215983

CC(C)CC(CO)Nc1nc(SCc2ccccc2)nc2nc(Br)sc12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.80
CXCR2 P25025 19/20 0.80

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
SCHEMBL215982 1.00 CX3CR1 (0.80) CX3CR1CXCR2
SCHEMBL5036079 0.90 CXCR2 (0.80) CX3CR1CXCR2
SCHEMBL842745 0.90 CXCR2 (0.80) CX3CR1CXCR2
SCHEMBL5233299 0.89 CX3CR1 (1.00) CX3CR1CXCR2
SCHEMBL5233311 0.89 CX3CR1 (1.00) CX3CR1CXCR2
SCHEMBL6869080 0.89 CX3CR1 (0.79) CX3CR1CXCR2
SCHEMBL842707 0.88 CXCR2 (0.79) CX3CR1CXCR2
SCHEMBL842708 0.88 CXCR2 (0.79) CX3CR1CXCR2
SCHEMBL6869357 0.87 CX3CR1 (0.76) CX3CR1CXCR2
SCHEMBL5446092 0.87 CX3CR1 (0.76) CX3CR1CXCR2

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 5 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
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
EP-1377590-B1 THIAZOLOPYRIMIDINE DERIVATIVES AND USE THEREOF AS ANTAGONISTS OF THE CX3CR1 RECEPTOR ASTRAZENECA AB (SE) 2007-08-15 EP 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 (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-20040106628-A1 Novel use CX3CR1, CNR1, ARRB1 CX3CR1 1/4885CXCR2 24/4885
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 5/4885

“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.