SCHEMBL2084306

SCHEMBL2084306

Cc1cnc(CN(Cc2ncccc2-c2ccccc2)C2CCN(C(=NC(=O)OC(C)(C)C)NC(=O)O)CC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.35
CXCR4 P61073 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
USP30 Q70CQ3 3/20 0.33
THRB P10828 1/20 0.32
HPGDS O60760 1/20 0.32
SYK P43405 1/20 0.32
AKT1 P31749 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL2084304 1.00 GPR119 (0.35) GPR119CXCR4MEN1KMT2ALMNA
SCHEMBL2083576 0.89 CXCR4 (0.34) GPR119CXCR4MEN1KMT2ALMNA
SCHEMBL2083573 0.89 CXCR4 (0.34) GPR119CXCR4MEN1KMT2ALMNA
SCHEMBL2086372 0.87 MEN1 (0.45) GPR119MEN1KMT2ALMNATP53
SCHEMBL12935380 0.82 CXCR4 (0.37) CXCR4POLBSYK
SCHEMBL2084544 0.81 CXCR4 (0.31) CXCR4
SCHEMBL2084542 0.81 CXCR4 (0.32) CXCR4LMNATP53THRB
SCHEMBL2084539 0.81 CXCR4 (0.32) CXCR4LMNATP53THRB
SCHEMBL2084606 0.81 ACKR3 (0.36) GPR119CXCR4AKT1
SCHEMBL2085542 0.80 CXCR4 (0.39) CXCR4POLB

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 GPR119 294/4885CXCR4 1/4885MEN1 4472/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 GPR119 159/4885CXCR4 1/4885MEN1 4609/4885

“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.