SCHEMBL4714535

SCHEMBL4714535

O=Cc1nc2ccccc2n1CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.53
BRD4 O60885 7/20 0.49
PRKACA P17612 2/20 0.49
RPS6KB1 P23443 2/20 0.49
GSK3B P49841 2/20 0.49
ROCK1 Q13464 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BAZ2A Q9UIF9 3/20 0.47
GRM2 Q14416 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL30897388 0.85 PRKACA (0.49) BRD4PRKACARPS6KB1GSK3BROCK1
SCHEMBL2082562 0.78 LMNA (0.57) VDRALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL3616241 0.78 KDM4E (0.65) VDRALDH1A1KDM4EHSD17B10TP53
SCHEMBL9674712 0.78 VDR (0.58) VDRALDH1A1KDM4EHSD17B10TP53
SCHEMBL1708203 0.76 HTT (0.60) BRD4PRKACARPS6KB1GSK3BROCK1
SCHEMBL979443 0.76 HTT (0.60) BRD4PRKACARPS6KB1GSK3BROCK1
SCHEMBL15956414 0.76 LMNA (0.53) BRD4PRKACARPS6KB1GSK3BROCK1
SCHEMBL13035832 0.76 TNF (0.57) BRD4PRKACARPS6KB1GSK3BROCK1
SCHEMBL30897344 0.76 PRKACA (0.52) BRD4PRKACARPS6KB1GSK3BROCK1
SCHEMBL7168778 0.76 LMNA (0.53) BRD4PRKACARPS6KB1GSK3BROCK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2016-08-11 US disclosed
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy ANORMED, INC. (CA) 2015-02-05 US disclosed
US-8778967-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2014-07-15 US disclosed
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2012-11-29 US disclosed
US-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2008-07-10 US disclosed
EP-1465889-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-05-14 EP disclosed
US-7354934-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US disclosed
US-7354932-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US disclosed
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2006-05-11 US disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2004-01-29 US disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 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 (9 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-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 VDR 219/4885BRD4 224/4885PRKACA 3169/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 VDR 220/4885BRD4 190/4885PRKACA 3169/4885

“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.