SCHEMBL1277871

SCHEMBL1277871

c1cc(NC2CCCC2)c2[nH]c(C3=NC(CN4CCOCC4)CS3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
TTK P33981 3/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
VCP P55072 2/20 0.33
ADORA3 P0DMS8 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
ROCK2 O75116 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1277868 1.00 DRD2 (0.37) DRD2DRD4DRD3TTKCNR1
SCHEMBL1277462 0.93 DRD2 (0.38) DRD2DRD4DRD3BRD4ATAD2
SCHEMBL1277459 0.93 DRD2 (0.38) DRD2DRD4DRD3BRD4ATAD2
SCHEMBL1278072 0.91 VCP (0.36) TTKCNR1CNR2BRD4ATAD2
SCHEMBL1278074 0.91 VCP (0.36) TTKCNR1CNR2BRD4ATAD2
SCHEMBL1277498 0.85 TTK (0.38) TTKCNR1CNR2BRD4ATAD2
SCHEMBL1277502 0.85 TTK (0.38) TTKCNR1CNR2BRD4ATAD2
SCHEMBL3027257 0.84 BRD4 (0.33) TTKBRD4ATAD2VCPROCK2
SCHEMBL27964572 0.83 TTK (0.33) TTKCNR1CNR2BRD4ATAD2
SCHEMBL3025267 0.83 BRD4 (0.39) BRD4ATAD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896483-A Glucokinase activators and pharmaceutical compositions containing the same as active ingredients LG LIFE SCIENCES LTD 2010-11-24 CN claimed
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
CN-101896483-B Glucokinase activators and pharmaceutical compositions containing the same as active ingredients LG LIFE SCIENCES LTD 2013-11-20 CN disclosed
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
CN-101896483-A Glucokinase activators and pharmaceutical compositions containing the same as active ingredients LG LIFE SCIENCES LTD 2010-11-24 CN 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 DRD2 4229/4885DRD4 4091/4885DRD3 4403/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 DRD2 4473/4885DRD4 4400/4885DRD3 4590/4885

“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.