SCHEMBL1430401

SCHEMBL1430401

CCN(CC)CCCNc1nc(NC2CCN(Cc3cccc4ccn(C)c34)CC2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 20/20 0.60
KDM1A O60341 19/20 0.60
RCOR1 Q9UKL0 18/20 0.59
EZH2 Q15910 2/20 0.46
PRMT1 Q99873 2/20 0.46
KMT5A Q9NQR1 1/20 0.46

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
SCHEMBL9911796 0.86 EHMT2 (0.66) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1430305 0.85 EHMT2 (0.63) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1427795 0.85 EHMT2 (0.67) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911797 0.84 EHMT2 (0.64) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9912722 0.83 EHMT2 (0.63) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1430133 0.82 EHMT2 (0.59) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911791 0.82 EHMT2 (0.61) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1427881 0.82 EHMT2 (0.61) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL1427759 0.80 EHMT2 (0.62) EHMT2KDM1ARCOR1EZH2PRMT1
SCHEMBL9911795 0.78 EHMT2 (0.56) EHMT2KDM1ARCOR1EZH2PRMT1

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-8193203-B2 Bicyclic compounds having activity at the CXCR4 receptor ALLERGAN, INC. (US) 2012-06-05 US disclosed
US-8193203-B2 Bicyclic compounds having activity at the CXCR4 receptor ALLERGAN, INC. (US) 2012-06-05 US disclosed
US-8193203-B2 Bicyclic compounds having activity at the CXCR4 receptor ALLERGAN, INC. (US) 2012-06-05 US disclosed
EP-2300456-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR Allergan, Inc. (US) 2011-03-30 EP disclosed
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-12-17 US disclosed
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-12-17 US disclosed
US-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-12-17 US disclosed
WO-2009143058-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR ALLERGAN, INC. (US) 2009-11-26 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 (1 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-20090312305-A1 BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR CXCR4, CXCR2, CXCL12 EHMT2 4669/4885KDM1A 4804/4885RCOR1 3069/4885

“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.