SCHEMBL2085126

SCHEMBL2085126

Cc1cccnc1CN(Cc1ccccn1)Cc1ccc(CN)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIN28A Q9H9Z2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 1/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
SYK P43405 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL2082556 0.92 CXCR4 (0.36) CXCR4SMN1; SMN2EGFRCSF1RMEN1
SCHEMBL2085333 0.87 CXCR4 (0.34) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2082225 0.87 CDK1 (0.35) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2083725 0.84 CXCR4 (0.36) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2084557 0.81 CXCR4 (0.58) CXCR4SMN1; SMN2SYKKMT2ACHRM2
SCHEMBL2084559 0.81 CXCR4 (0.58) CXCR4SMN1; SMN2SYKKMT2ACHRM2
SCHEMBL2085045 0.80 CXCR4 (0.38) CXCR4MEN1KMT2A
SCHEMBL2084551 0.79 CXCR4 (0.35) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2086109 0.77 METAP1 (0.36) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL2082788 0.77 L3MBTL1 (0.39) MAPTKMT2AKDM4EALDH1A1L3MBTL1

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 CXCR4 1/4885MAPT 4625/4885SMN1; SMN2 4611/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885MAPT 4426/4885SMN1; SMN2 4601/4885

“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.