SCHEMBL2085274

SCHEMBL2085274

COC(=O)c1cc(C#N)ccc1CN(Cc1ncccc1C)Cc1ncccc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
METAP1 P53582 1/20 0.35
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GPR6 P46095 6/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORC P51449 1/20 0.32
TDP2 O95551 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
SCHEMBL2084299 0.89 METAP1 (0.35) METAP1KMT2AEGLN2ADORA2AADORA1
SCHEMBL2084858 0.88 ADORA2A (0.40) KDM4EPOLBKMT2AADORA2AADORA1
SCHEMBL2082555 0.84 MRGPRX4 (0.39) KDM4EPOLBKMT2AADORA2AADORA1
SCHEMBL2084345 0.81 ADORA2A (0.36) KDM4EPOLBKMT2AADORA2AADORA1
SCHEMBL2082059 0.79 CXCR4 (0.44)
SCHEMBL4036473 0.78 KDM4E (0.41) KDM4EKMT2AADORA2AADORA1ALDH1A1
SCHEMBL2086109 0.76 METAP1 (0.36) METAP1KMT2ATDP2
SCHEMBL2081315 0.73 CXCR4 (0.49) KDM4EPOLBKMT2AADORA2AADORA1
SCHEMBL2086082 0.72 LOXL2 (0.39) KDM4EPOLBADORA2AADORA1ALDH1A1
SCHEMBL2084418 0.71 KDM4E (0.35) KDM4EPOLBKMT2AEGLN2ADORA2A

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 ATR 4521/4885KDM4E 3901/4885POLB 3913/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ATR 3982/4885KDM4E 3210/4885POLB 4206/4885

“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.