SCHEMBL3655293

SCHEMBL3655293

CN(Cc1cn(CCCN2C(=O)c3ccccc3C2=O)nn1)C1CCCc2cccnc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 18/20 0.63
HSP90AB1 P08238 2/20 0.56
KCNH2 Q12809 1/20 0.47

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
SCHEMBL15081701 0.86 CXCR4 (0.55) CXCR4KCNH2
SCHEMBL13509925 0.85 CXCR4 (0.60) CXCR4KCNH2
Hydrochloric Acid SCHEMBL3802022 0.84 CXCR4 (0.59) CXCR4KCNH2
SCHEMBL18657444 0.82 CXCR4 (0.63) CXCR4
SCHEMBL13509647 0.80 CXCR4 (0.55) CXCR4KCNH2
SCHEMBL15081707 0.78 CXCR4 (0.53) CXCR4KCNH2
SCHEMBL13510424 0.78 CXCR4 (1.00) CXCR4KCNH2
SCHEMBL21744543 0.77 CXCR4 (0.59) CXCR4KCNH2
SCHEMBL3652525 0.77 CXCR4 (0.58) CXCR4KCNH2
SCHEMBL13509904 0.76 CXCR4 (0.51) CXCR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
EP-2664618-A2 Chemokine receptor modulators Altiris Therapeutics (US) 2013-11-20 EP disclosed
EP-2262808-B1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2013-08-14 EP disclosed
EP-2262808-B1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2013-08-14 EP disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
EP-2262808-A2 CHEMOKINE RECEPTOR MODULATORS Altiris Therapeutics (US) 2010-12-22 EP disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO 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-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CXCR4 2/4885HSP90AB1 2695/4885KCNH2 4846/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CXCR4 2/4885HSP90AB1 2695/4885KCNH2 4846/4885

“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.