SCHEMBL2084299

SCHEMBL2084299

Cc1cccnc1CN(Cc1ccc(C#N)cc1CO)Cc1ncccc1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KMT2A Q03164 2/20 0.33
RORC P51449 3/20 0.33
NSD2 O96028 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
BRD9 Q9H8M2 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL2085274 0.89 ATR (0.36) METAP1EGLN2ADORA2AADORA1KMT2A
SCHEMBL2086109 0.86 METAP1 (0.36) METAP1KMT2ABRD4SMN1; SMN2BRD9
SCHEMBL2084592 0.84 ADORA2A (0.37) ADORA2AADORA1KMT2AALDH1A1L3MBTL1
SCHEMBL2084581 0.79 CDK1 (0.35) ADORA2AADORA1ALDH1A1NPSR1
SCHEMBL2082051 0.75 AKT1 (0.39) ADORA2AADORA1KMT2ANSD2BRD4
SCHEMBL2084858 0.74 ADORA2A (0.40) ADORA2AADORA1KMT2AALDH1A1HPGD
SCHEMBL2084418 0.74 KDM4E (0.35) EGLN2ADORA2AADORA1KMT2AALDH1A1
SCHEMBL2082187 0.72 METAP1 (0.53) METAP1BRD4ALDH1A1LMNABRD9
SCHEMBL29619168 0.72 METAP1 (0.53) METAP1BRD4ALDH1A1LMNABRD9
SCHEMBL2082555 0.71 MRGPRX4 (0.39) ADORA2AADORA1KMT2AALDH1A1HPGD

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 METAP1 2325/4885EGLN2 1597/4885ADORA2A 66/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 METAP1 3016/4885EGLN2 1911/4885ADORA2A 58/4885

“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.