SCHEMBL2083085

SCHEMBL2083085

Cc1cc(CN)ccc1CN(Cc1ncc(Cl)cc1C)C(C)(C)c1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.32
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL2085695 0.91 CXCR4 (0.31) CXCR4
SCHEMBL2084874 0.78 L3MBTL1 (0.33) KDM4EHTT
SCHEMBL23428771 0.78 CNR1 (0.30)
SCHEMBL2085768 0.77 CNR1 (0.30)
SCHEMBL4033759 0.76 CXCR4 (0.39) CXCR4KLKB1KLK1KDM4EMEN1
SCHEMBL4033761 0.76 CXCR4 (0.41) CXCR4KLKB1KLK1MEN1HTT
SCHEMBL7049227 0.69 CXCR4 (0.59) CXCR4
SCHEMBL2085376 0.67 ANO1 (0.38) KDM4EMEN1HTTKMT2A
SCHEMBL23428575 0.67
SCHEMBL17221806 0.62 SCN4A (0.37) HTT

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 1/4885KLKB1 1622/4885KLK1 2135/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885KLKB1 1201/4885KLK1 1551/4885

“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.