SCHEMBL2083829

SCHEMBL2083829

Cc1cccnc1CN(CCCNC(=O)c1ccc(O)nc1)Cc1ncccc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TET3 O43151 1/20 0.42
TET2 Q6N021 1/20 0.42
TET1 Q8NFU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2084447 0.83 CXCR4 (0.57) KDM4EPOLBALOX15KMT2AMEN1
SCHEMBL2083510 0.81 KDM4E (0.36) KDM4EPOLBALOX15KMT2AMEN1
SCHEMBL2084960 0.79 CXCR4 (0.41) ALOX15
SCHEMBL12935299 0.78 CXCR4 (0.39) ALOX15KMT2AMEN1HDAC6
SCHEMBL2084774 0.78 KDM4E (0.34) KDM4EPOLBALOX15KMT2AMEN1
SCHEMBL2083428 0.75 CYP3A4 (0.43) KDM4EKMT2AMEN1L3MBTL1
SCHEMBL23428606 0.73 HSD17B10 (0.45) KDM4ERAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL2086057 0.72 CXCR4 (0.65)
SCHEMBL13286818 0.71 KDM4E (0.53) KDM4EPOLBKMT2AMEN1RAB9A
SCHEMBL2085851 0.71 CXCR4 (0.43) KMT2AMEN1L3MBTL1HDAC6

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 18 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
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
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
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-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
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 (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 KDM4E 2986/4885POLB 4152/4885ALOX15 2988/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 KDM4E 3901/4885POLB 3913/4885ALOX15 1313/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KDM4E 3210/4885POLB 4206/4885ALOX15 1632/4885

“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.