SCHEMBL2084038

SCHEMBL2084038

Cc1cnc(CC(NCCc2ccccn2)c2nccc3ccccc23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CXCR4 P61073 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACP1 P24666 1/20 0.32
APP P05067 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
SCHEMBL2085665 0.86 CXCR4 (0.31) CXCR4
SCHEMBL2085673 0.77 CXCR4 (0.33) CXCR4
SCHEMBL2081861 0.74 BRD4 (0.36) CYP1A2CYP2D6
SCHEMBL2084040 0.73 CXCR4 (0.43) SMN1; SMN2CXCR4CYP1A2CYP2C19KDM4E
SCHEMBL2085959 0.73 GBA1 (0.34) CXCR4
SCHEMBL2084400 0.73 SLC40A1 (0.40) SMN1; SMN2ALDH1A1LMNAKDM4ETDP1
SCHEMBL2084498 0.72
SCHEMBL2084355 0.71 PRMT5 (0.36)
SCHEMBL5576994 0.71 LMNA (0.34) CXCR4LMNA
SCHEMBL2083521 0.69 SYK (0.35) TDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
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 SMN1; SMN2 4611/4885CXCR4 1/4885HRH3 322/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SMN1; SMN2 4601/4885CXCR4 1/4885HRH3 224/4885

“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.