SCHEMBL1278047

SCHEMBL1278047

COC(=O)CC1CSC(c2cc3cccc(N)c3[nH]2)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
VCP P55072 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRR1 P24046 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRA4 P48169 3/20 0.32
TLR7 Q9NYK1 2/20 0.32
SLC6A12 P48065 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
MTOR P42345 2/20 0.31
RICTOR Q6R327 2/20 0.31
RPTOR Q8N122 2/20 0.31
MAPKAP1 Q9BPZ7 2/20 0.31
MLST8 Q9BVC4 2/20 0.31
RIPK2 O43353 1/20 0.31
RET P07949 1/20 0.31
NQO2 P16083 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
SCHEMBL1278044 1.00 HRH4 (0.36) HRH4PYGLPYGMVCPGABRA1
SCHEMBL1277701 0.85 GABRA1 (0.32) VCPGABRA1GABRR1GABRA5GABRB2
SCHEMBL1277705 0.85 GABRA1 (0.32) VCPGABRA1GABRR1GABRA5GABRB2
SCHEMBL1277961 0.85 GABRA1 (0.32) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277963 0.85 GABRA1 (0.32) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278346 0.84 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278149 0.84 GABRA1 (0.32) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278189 0.84 HRH4 (0.38) HRH4GABRA1GABRR1GABRA5GABRB2
SCHEMBL1278349 0.84 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278145 0.84 GABRA1 (0.32) GABRA1GABRR1GABRA5GABRB2GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH4 4816/4885PYGL 32/4885PYGM 45/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 HRH4 4799/4885PYGL 49/4885PYGM 51/4885

“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.