SCHEMBL2083573

SCHEMBL2083573

Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)O)CC2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.31
GCK P35557 1/20 0.31
GPR119 Q8TDV5 4/20 0.31
SSTR4 P31391 4/20 0.31
SSTR1 P30872 1/20 0.30

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
SCHEMBL2083576 1.00 CXCR4 (0.34) CXCR4MEN1KMT2ALMNATP53
SCHEMBL2084306 0.89 GPR119 (0.35) CXCR4MEN1KMT2ALMNATP53
SCHEMBL2084304 0.89 GPR119 (0.35) CXCR4MEN1KMT2ALMNATP53
SCHEMBL2084109 0.87 MEN1 (0.41) MEN1KMT2ALMNATHRBGPR119
SCHEMBL2084544 0.86 CXCR4 (0.31) CXCR4
SCHEMBL5058354 0.84 CXCR4 (0.39) CXCR4MEN1KMT2ALMNATP53
SCHEMBL2083283 0.82 CXCR4 (0.39) CXCR4LMNATP53MAPT
SCHEMBL2084542 0.81 CXCR4 (0.32) CXCR4LMNATP53THRB
SCHEMBL2084539 0.81 CXCR4 (0.32) CXCR4LMNATP53THRB
SCHEMBL2084022 0.81 CXCR4 (0.38) CXCR4LMNATP53MAPT

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 CXCR4 1/4885MEN1 4472/4885KMT2A 4082/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885MEN1 4609/4885KMT2A 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.