SCHEMBL2085774

SCHEMBL2085774

Cc1cnc(NCCCCNC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.56
STK17A Q9UEE5 1/20 0.56
BRD4 O60885 18/20 0.54
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2086074 0.83 MAOA (0.46) STK17BSTK17ABRD4TDP1
SCHEMBL2082779 0.81 STK17B (0.46) STK17BSTK17ABRD4TDP1
SCHEMBL7416577 0.78 LCK (0.45)
SCHEMBL24070647 0.77 STK17B (0.75) STK17BSTK17ABRD4TDP1
SCHEMBL27175710 0.76 STK17B (0.52) STK17BSTK17ABRD4TDP1
SCHEMBL28941703 0.75 STK17B (0.51) STK17BSTK17ABRD4TDP1
SCHEMBL22934332 0.75 STK17B (0.51) STK17BSTK17ABRD4TDP1
SCHEMBL28751899 0.75 STK17B (0.51) STK17BSTK17ABRD4TDP1
SCHEMBL29406468 0.75 STK17B (0.51) STK17BSTK17ABRD4TDP1
SCHEMBL13451845 0.75 STK17B (0.56) STK17BSTK17ABRD4TDP1

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 STK17B 3101/4885STK17A 3021/4885BRD4 2460/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 STK17B 2985/4885STK17A 2732/4885BRD4 1401/4885

“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.