SCHEMBL1428350

SCHEMBL1428350

COc1cccc(N(C)C)c1CN1CCC(Nc2nc(N3CCN(C)CC3)nc3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 19/20 0.63
NSD2 O96028 3/20 0.63
NSD3 Q9BZ95 3/20 0.63
EHMT1 Q9H9B1 3/20 0.63
EZH2 Q15910 1/20 0.63
NPC1 O15118 1/20 0.60
KDM1A O60341 1/20 0.60
MTOR P42345 1/20 0.60
RAB9A P51151 1/20 0.60
DNMT3A Q9Y6K1 1/20 0.55

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
SCHEMBL1430299 0.97 EHMT2 (0.65) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL1427845 0.97 EHMT2 (0.58) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL1428062 0.93 EHMT2 (0.59) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL4198293 0.91 EHMT2 (0.53) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL1427885 0.88 EHMT2 (0.62) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL1427508 0.87 EHMT2 (0.51) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL9911843 0.86 EHMT2 (0.59) EHMT2EZH2KDM1ADNMT3A
SCHEMBL1428356 0.85 NSD2 (0.54) EHMT2NSD2EZH2KDM1A
SCHEMBL4195120 0.85 EHMT2 (0.48) EHMT2NSD2NSD3EHMT1EZH2
SCHEMBL1427882 0.84 EHMT2 (0.72) EHMT2NSD2NSD3EHMT1EZH2

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 9 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
CN-102105463-A Bicyclic compounds active on the CXCR4 receptor ALLERGAN INC 2011-06-22 CN 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 4669/4885NSD2 4654/4885NSD3 4452/4885

“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.