SCHEMBL2083891

SCHEMBL2083891

Cc1cnc(CC(CCCN)NCc2ncccc2-c2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.41
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PDE10A Q9Y233 2/20 0.30
SLC6A3 Q01959 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
DHODH Q02127 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL2084746 0.89 PTGS2 (0.41) CXCR4
SCHEMBL2084787 0.89 CXCR4 (0.38) CXCR4ADORA2AADORA1
SCHEMBL2085833 0.86 CXCR4 (0.37) CXCR4ADORA2AADORA1
SCHEMBL2084532 0.85 CXCR4 (0.36) CXCR4
Hydrochloric Acid SCHEMBL2084706 0.85 CXCR4 (0.36) CXCR4ADORA2AADORA1
SCHEMBL2084154 0.85 ADORA2A (0.37) CXCR4ADORA2AADORA1SYK
SCHEMBL2082894 0.84 CXCR4 (0.42) CXCR4SLC6A3
SCHEMBL2084736 0.84 CXCR4 (0.39) CXCR4
SCHEMBL2084337 0.84 CXCR4 (0.39) CXCR4ADORA2ASLC6A3
SCHEMBL2086326 0.83 CXCR4 (0.38) CXCR4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 CXCR4 1/4885ADORA2A 66/4885ADORA1 70/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885ADORA2A 58/4885ADORA1 53/4885

“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.