SCHEMBL2086109

SCHEMBL2086109

Cc1cccnc1CN(Cc1ccc(CN)cc1CO)Cc1ncccc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
BRD4 O60885 1/20 0.34
TDP2 O95551 1/20 0.33
HDAC1 Q13547 2/20 0.32
KCNQ4 P56696 3/20 0.32
KCNQ5 Q9NR82 3/20 0.32
NAMPT P43490 1/20 0.32
KMT2A Q03164 2/20 0.32
BRD9 Q9H8M2 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP17A1 P05093 1/20 0.32
AKT1 P31749 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2084299 0.86 METAP1 (0.35) METAP1BRD4KMT2ABRD9HTT
SCHEMBL2082556 0.83 CXCR4 (0.36) KMT2AHTTL3MBTL1MEN1SMN1; SMN2
SCHEMBL2082051 0.81 AKT1 (0.39) BRD4NAMPTKMT2AL3MBTL1AKT1
SCHEMBL2082225 0.79 CDK1 (0.35)
SCHEMBL2085333 0.79 CXCR4 (0.34)
SCHEMBL2082362 0.78 CXCR4 (0.50) CYP3A4
SCHEMBL2085126 0.77 CXCR4 (0.39) KMT2ANPSR1L3MBTL1MEN1MAPT
SCHEMBL2083725 0.76 CXCR4 (0.36)
SCHEMBL2085274 0.76 ATR (0.36) METAP1TDP2KMT2A
SCHEMBL2082788 0.75 L3MBTL1 (0.39) KMT2AL3MBTL1AKT1MAPT

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 METAP1 2325/4885BRD4 2460/4885TDP2 3838/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 METAP1 3016/4885BRD4 1401/4885TDP2 4137/4885

“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.