SCHEMBL1278074

SCHEMBL1278074

c1cc(NC2CCCC2)c2[nH]c(C3=NC(CCN4CCOCC4)CS3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
TTK P33981 1/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
NPY5R Q15761 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL1278072 1.00 VCP (0.36) VCPCNR1CNR2TTKTSHR
SCHEMBL3027257 0.93 BRD4 (0.33) VCPTTKBRD4ATAD2ROCK2
SCHEMBL1277869 0.92 KDM4E (0.35) VCPTSHRKDM4EHSD17B10ALDH1A1
SCHEMBL1277872 0.92 KDM4E (0.35) VCPTSHRKDM4EHSD17B10ALDH1A1
SCHEMBL1277868 0.91 DRD2 (0.37) VCPCNR1CNR2TTKTSHR
SCHEMBL1277871 0.91 DRD2 (0.37) VCPCNR1CNR2TTKTSHR
SCHEMBL1277329 0.91 VCP (0.34) VCPCNR2ALDH1A1BRD4ATAD2
SCHEMBL1278103 0.88 PDE4B (0.33) CNR1CNR2TSHRKDM4EHSD17B10
SCHEMBL1278105 0.88 PDE4B (0.33) CNR1CNR2TSHRKDM4EHSD17B10
SCHEMBL1277823 0.87 PYGL (0.33) CNR2IRAK4PDE4BPDE7A

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
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US claimed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP claimed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO claimed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US disclosed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 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 (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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 VCP 3418/4885CNR1 4478/4885CNR2 4652/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 VCP 2525/4885CNR1 4551/4885CNR2 4667/4885

“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.