SCHEMBL2084774

SCHEMBL2084774

CC(=O)OC(C)(C)c1cccnc1CN(CCCCNC(=O)c1ccc(O)nc1)Cc1ncc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TET3 O43151 1/20 0.34
TET2 Q6N021 1/20 0.34
TET1 Q8NFU7 1/20 0.34
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
RAD52 P43351 1/20 0.33
UBE2N P61088 1/20 0.33
CXCR4 P61073 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 2/20 0.32
ALOX15 P16050 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PTAFR P25105 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL2083510 0.90 KDM4E (0.36) KDM4EL3MBTL1TET3TET2TET1
SCHEMBL2084323 0.87 CXCR4 (0.37) CXCR4
SCHEMBL2084295 0.86 CYP3A4 (0.40) KDM4EL3MBTL1CXCR4
SCHEMBL2083097 0.86 CXCR4 (0.35) L3MBTL1CXCR4POLB
SCHEMBL2081542 0.82 CXCR4 (0.47) CXCR4
SCHEMBL2083102 0.81 CXCR4 (0.43) CXCR4
SCHEMBL2083829 0.78 KDM4E (0.46) KDM4EL3MBTL1TET3TET2TET1
SCHEMBL2084724 0.76 CXCR4 (0.38) CXCR4
SCHEMBL2083998 0.76 CXCR4 (0.36) KDM4EL3MBTL1TET3TET2TET1
SCHEMBL2085143 0.75 CYP3A4 (0.42) KDM4EL3MBTL1CXCR4

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
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
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP 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
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 KDM4E 3901/4885L3MBTL1 2244/4885TET3 4366/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KDM4E 3210/4885L3MBTL1 2510/4885TET3 4504/4885

“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.