SCHEMBL16259449

SCHEMBL16259449

c1cc2nc(c1)CNCc1ccc(cc1)COCc1cccc(n1)COCc1ccc(cc1)CNC2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.37
APEX1 P27695 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
SCHEMBL16259456 0.90 APEX1 (0.37) APEX1
SCHEMBL16259450 0.78 LMNA (0.35) CXCR4
SCHEMBL16259454 0.78 LMNA (0.35) CXCR4
SCHEMBL13495066 0.77 CXCR4 (0.52) CXCR4
SCHEMBL16259448 0.76 LMNA (0.37) CXCR4
SCHEMBL25009807 0.71 CXCR4 (0.47) CXCR4
SCHEMBL16259455 0.69
SCHEMBL14206482 0.68 CXCR4 (0.50) CXCR4APEX1
SCHEMBL31297418 0.68 LMNA (0.39) CXCR4
SCHEMBL9207672 0.68 CXCR4 (0.58) CXCR4APEX1

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
US-9085548-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-21 US disclosed
US-9085548-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-21 US disclosed
US-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-19 US disclosed
US-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-19 US disclosed
US-8952167-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-10 US disclosed
US-8952167-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-10 US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 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-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA CXCR4 981/4885APEX1 705/4885
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA CXCR4 981/4885APEX1 705/4885

“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.