SCHEMBL2084294

SCHEMBL2084294

Cc1cnc(CN(CCCCNC(=O)c2ccc(O)nc2)C(C)c2ccccn2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.62
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.35
TET3 O43151 1/20 0.35
TET2 Q6N021 1/20 0.35
TET1 Q8NFU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRA5 P31644 1/20 0.34

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
SCHEMBL2084291 1.00 CXCR4 (0.62) CXCR4KMT2AMEN1DUSP3PTPN11
SCHEMBL2084447 0.88 CXCR4 (0.57) CXCR4KMT2AMEN1GAAKDM4E
SCHEMBL23428719 0.86 CXCR4 (0.71) CXCR4KMT2ADUSP3PTPN11GAA
SCHEMBL2084226 0.85 CXCR4 (0.72) CXCR4KMT2ADUSP3PTPN11GAA
SCHEMBL2084223 0.85 CXCR4 (0.72) CXCR4KMT2ADUSP3PTPN11GAA
SCHEMBL2083450 0.83 CXCR4 (0.71) CXCR4KMT2AMEN1DUSP3PTPN11
SCHEMBL5054913 0.77 CXCR4 (1.00) CXCR4KMT2ADUSP3PTPN11
SCHEMBL2084567 0.77 CXCR4 (1.00) CXCR4KMT2ADUSP3PTPN11
SCHEMBL2083510 0.76 KDM4E (0.36) CXCR4KMT2AMEN1KDM4ETET3
SCHEMBL2084774 0.73 KDM4E (0.34) CXCR4KMT2AMEN1KDM4ETET3

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 1/4885KMT2A 4082/4885MEN1 4472/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885KMT2A 2950/4885MEN1 4609/4885

“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.