SCHEMBL2083578

SCHEMBL2083578

CC(C)(C)OC(=O)NC1CCC(NCc2ncccc2-c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
AKT1 P31749 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 3/20 0.42
KCNA3 P22001 1/20 0.42
EPHX2 P34913 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
BTK Q06187 2/20 0.39
LIPG Q9Y5X9 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
MAPK8 P45983 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL12934900 0.85 BTK (0.46) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL2084148 0.85 BTK (0.46) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL2084145 0.85 BTK (0.46) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL2087175 0.84 USP30 (0.51) AKT1KMT2A
SCHEMBL2082811 0.81 CKS1B (0.42) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL4266530 0.78 KMT2A (0.58) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL5694937 0.78 KMT2A (0.58) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL4266535 0.78 KMT2A (0.58) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL19569128 0.75 KMT2A (0.61) CKS1BSKP1SKP2KDM1AMAOB
SCHEMBL3490176 0.75 KDM4D (0.48) CKS1BSKP1SKP2KDM1AMAOB

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 CKS1B 1104/4885SKP1 3246/4885SKP2 2911/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CKS1B 1078/4885SKP1 3535/4885SKP2 1823/4885

“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.