SCHEMBL2084154

SCHEMBL2084154

Cc1ccc(-c2cccnc2CNC(CCCN)Cc2ncccc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.37
ADORA1 P30542 5/20 0.37
CXCR4 P61073 4/20 0.36
SYK P43405 4/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
COMT P21964 1/20 0.30
ADRB2 P07550 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
SCHEMBL4214955 0.87 CXCR4 (0.41) ADORA2AADORA1CXCR4ADRB2
SCHEMBL2083891 0.85 CXCR4 (0.41) ADORA2AADORA1CXCR4SYK
SCHEMBL2082171 0.83 ADORA2A (0.41) ADORA2AADORA1CXCR4
SCHEMBL2084803 0.82 SYK (0.35) ADORA2AADORA1CXCR4SYK
SCHEMBL2084746 0.82 PTGS2 (0.41) CXCR4
SCHEMBL2083717 0.81 PDE4D (0.44)
SCHEMBL2085159 0.80 CXCR4 (0.38) ADORA2AADORA1CXCR4SYKADRB2
SCHEMBL2083908 0.80 ADORA2A (0.38) ADORA2AADORA1CXCR4
SCHEMBL2084233 0.79 CXCR4 (0.42) ADORA2AADORA1CXCR4
SCHEMBL2084914 0.78 CXCR4 (0.38) ADORA2AADORA1CXCR4ADRB2

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-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
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 ADORA2A 66/4885ADORA1 70/4885CXCR4 1/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ADORA2A 58/4885ADORA1 53/4885CXCR4 1/4885

“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.