SCHEMBL1428539

SCHEMBL1428539

COc1cccc(N(C)C)c1CN1CCC(Nc2nc(Cl)nc3ccc(Br)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 7/20 0.53
▸ EHMT2 Q96KQ7 13/20 0.48
▸ KDM1A O60341 6/20 0.47
▸ RCOR1 Q9UKL0 6/20 0.47
▸ DNMT3A Q9Y6K1 1/20 0.46
▸ EZH2 Q15910 1/20 0.46
▸ NSD3 Q9BZ95 1/20 0.46
▸ EHMT1 Q9H9B1 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
SCHEMBL1427825 0.91 NSD2 (0.63) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL1428356 0.90 NSD2 (0.54) NSD2EHMT2KDM1ARCOR1EZH2
SCHEMBL1428353 0.86 NSD2 (0.56) NSD2EHMT2KDM1ARCOR1
SCHEMBL1427624 0.86 NSD2 (0.56) NSD2EHMT2KDM1ARCOR1
SCHEMBL1427625 0.86 NSD2 (0.56) NSD2EHMT2KDM1ARCOR1
SCHEMBL1427833 0.85 NSD2 (0.57) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL9911794 0.84 EHMT2 (0.66) EHMT2KDM1ARCOR1EZH2EHMT1
SCHEMBL1427572 0.83 NSD2 (0.56) NSD2EHMT2KDM1ARCOR1EZH2
SCHEMBL4202122 0.82 EHMT2 (0.59) NSD2EHMT2KDM1ARCOR1EZH2
SCHEMBL1427537 0.81 NSD2 (0.43) NSD2EHMT2KDM1ARCOR1EZH2

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 10 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
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 NSD2 4654/4885EHMT2 4669/4885KDM1A 4804/4885

“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.

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