SCHEMBL2084895

SCHEMBL2084895

Cc1cccnc1CNC(CCCN)Cc1ccc(-c2ccccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.39
EGLN1 Q9GZT9 1/20 0.36
ADORA2A P29274 10/20 0.35
ADORA1 P30542 9/20 0.35
DYRK1B Q9Y463 1/20 0.33
GRM5 P41594 1/20 0.32
CYP2A6 P11509 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2084914 0.82 CXCR4 (0.38) CXCR4EGLN1ADORA2AADORA1
SCHEMBL2085950 0.81 CXCR4 (0.39) CXCR4ADORA2AADORA1DYRK1B
SCHEMBL4214955 0.81 CXCR4 (0.41) CXCR4ADORA2AADORA1
SCHEMBL2082171 0.77 ADORA2A (0.41) CXCR4ADORA2AADORA1DYRK1B
SCHEMBL2085159 0.76 CXCR4 (0.38) CXCR4ADORA2AADORA1
SCHEMBL2083908 0.76 ADORA2A (0.38) CXCR4ADORA2AADORA1
SCHEMBL2084251 0.74 HRH1 (0.39) CXCR4ADORA2AADORA1
SCHEMBL2084154 0.74 ADORA2A (0.37) CXCR4ADORA2AADORA1
SCHEMBL2083555 0.74 CXCR4 (0.39) CXCR4ADORA2AADORA1
SCHEMBL2083724 0.73 CPB2 (0.42)

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 CXCR4 1/4885EGLN1 1483/4885ADORA2A 66/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885EGLN1 1845/4885ADORA2A 58/4885

“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.