SCHEMBL2084418

SCHEMBL2084418

COCc1cc(C#N)ccc1CN(Cc1ncccc1C)Cc1ncccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
AR P10275 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL2084592 0.86 ADORA2A (0.37) MEN1KMT2AADORA2AADORA1EGLN1
SCHEMBL2084581 0.81 CDK1 (0.35) ADORA2AADORA1NPSR1AREGLN1
SCHEMBL2084858 0.81 ADORA2A (0.40) KDM4EKMT2AHCRTR1HCRTR2ADORA2A
SCHEMBL2084551 0.81 CXCR4 (0.35) KDM4EADORA2ANPSR1NPC1ALOX12
SCHEMBL2082555 0.77 MRGPRX4 (0.39) KDM4EKMT2AADORA2AADORA1NPSR1
SCHEMBL2084345 0.74 ADORA2A (0.36) KDM4EMEN1KMT2AADORA2AADORA1
SCHEMBL2084299 0.74 METAP1 (0.35) KMT2AADORA2AADORA1NPSR1HTT
SCHEMBL2084046 0.74 CYP11B1 (0.42) MEN1KMT2AADORA2AADORA1MAPT
SCHEMBL5024689 0.72 NOS3 (0.45) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL4036473 0.71 KDM4E (0.41) KDM4EMEN1KMT2AHSD17B10ADORA2A

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
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
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP 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
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 KDM4E 3901/4885MEN1 4472/4885KMT2A 4082/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KDM4E 3210/4885MEN1 4609/4885KMT2A 2950/4885

“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.