SCHEMBL2083632

SCHEMBL2083632

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(N)=N[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.37
CCR5 P51681 4/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCR3 P51677 1/20 0.32
ACKR3 P25106 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 3/20 0.31
CTSB P07858 1/20 0.31
SSTR4 P31391 1/20 0.31
RPLP1 P05386 1/20 0.31
RPLP0 P05388 1/20 0.31
RPS17 P08708 1/20 0.31
RPSA P08865 1/20 0.31
RPS2 P15880 1/20 0.31
RPL35A P18077 1/20 0.31
RPL7 P18124 1/20 0.31
RPL17 P18621 1/20 0.31
RPS4Y1 P22090 1/20 0.31

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
SCHEMBL12935469 1.00 CXCR4 (0.37) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL12935384 0.85 CXCR4 (0.40) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL2082837 0.85 CXCR4 (0.40) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL5574598 0.84 CXCR4 (0.37) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL5574600 0.84 CXCR4 (0.37) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL12935360 0.82 CCR5 (0.41) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL2082698 0.81 CXCR4 (0.38) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL12935680 0.81 CXCR4 (0.38) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL2084702 0.80 CXCR4 (0.41) CXCR4CCR5KCNH2POLBTDP1
SCHEMBL2083629 0.80 MAPK1 (0.36) CXCR4CCR5KCNH2TDP1CCR3

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-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
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 1/4885CCR5 5/4885KCNH2 3955/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885CCR5 4/4885KCNH2 3729/4885

“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.