SCHEMBL2693149

SCHEMBL2693149

c1c[nH]c(CN(CCc2c[nH]cn2)Cc2ccc(CN3CCC4(CCN(C5CCCCC5)CC4)C3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.42
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2694965 0.89 CXCR4 (0.45) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1793097 0.88 CXCR4 (0.49) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2692565 0.86 CXCR4 (0.43) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2695579 0.85 CXCR4 (0.46) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2695146 0.85 CXCR4 (0.46) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14856676 0.85 CXCR4 (0.45) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2693945 0.84 CXCR4 (0.42) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2695947 0.83 CXCR4 (0.42) CXCR4
SCHEMBL2694598 0.83 CXCR4 (0.46) CXCR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2696527 0.82 CXCR4 (0.42) CXCR4ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP claimed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885ALDH1A1 470/4885KDM4E 4477/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 CXCR4 1/4885ALDH1A1 893/4885KDM4E 4606/4885

“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.