SCHEMBL2085291

SCHEMBL2085291

Cc1ccnc(C(C)NCCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
BRD4 O60885 2/20 0.43
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
DYRK1A Q13627 1/20 0.42
MAPT P10636 3/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 4/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 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
SCHEMBL2084167 0.84 MEN1 (0.46) MEN1GAAKMT2ATDP1CA12
SCHEMBL2084972 0.83 TDP1 (0.47) MEN1GAAKMT2ATDP1BRD4
SCHEMBL2084770 0.81 CYP3A4 (0.47) MEN1GAAKMT2ATDP1CA12
SCHEMBL2083707 0.81 MEN1 (0.46) MEN1GAAKMT2ATDP1BRD4
SCHEMBL2085398 0.77 CYP3A4 (0.46) MEN1GAAKMT2ATDP1BRD4
SCHEMBL21744740 0.77 MAOA (0.46) TDP1BRD4CA12CA1CA2
SCHEMBL4038791 0.76 MAOA (0.45) TDP1BRD4CA12CA1CA2
SCHEMBL2084864 0.75 L3MBTL1 (0.53) MEN1GAAKMT2ATDP1CA12
SCHEMBL2085707 0.75 CXCR4 (0.64) MEN1KMT2ATDP1BRD4MAPT
SCHEMBL2084316 0.74 NPSR1 (0.47) MEN1GAAKMT2ATDP1CA12

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 5 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
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 MEN1 4472/4885GAA 4838/4885KMT2A 4082/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 MEN1 4609/4885GAA 4741/4885KMT2A 2950/4885

“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.