SCHEMBL2084447

SCHEMBL2084447

Cc1cccnc1CN(CCCNC(=O)c1ccc(O)nc1)C(C)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.57
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2084294 0.88 CXCR4 (0.62) CXCR4KMT2AMEN1KDM4EGAA
SCHEMBL2084291 0.88 CXCR4 (0.62) CXCR4KMT2AMEN1KDM4EGAA
SCHEMBL2083829 0.83 KDM4E (0.46) KMT2AMEN1KDM4EPOLBALOX15
SCHEMBL2085737 0.79 CXCR4 (0.60) CXCR4KMT2AMEN1KDM4EGAA
SCHEMBL23428698 0.75 CXCR4 (0.78) CXCR4KDM4ECYP2D6
SCHEMBL2083450 0.75 CXCR4 (0.71) CXCR4KMT2AMEN1GAA
SCHEMBL2084029 0.74 CXCR4 (0.93) CXCR4KDM4ECYP2D6
SCHEMBL22894642 0.74 CXCR4 (0.69) CXCR4KMT2AKDM4EGAA
SCHEMBL5051496 0.74 CXCR4 (1.00) CXCR4KDM4E
SCHEMBL12935132 0.74 CXCR4 (1.00) CXCR4KDM4E

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 14 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-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 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-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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 (3 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-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 CXCR4 1/4885KMT2A 3631/4885MEN1 4176/4885
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.