SCHEMBL2667982

SCHEMBL2667982

Nc1ccc2[nH]nc(Nc3nccs3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.58
GSK3B P49841 1/20 0.51
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
EDNRA P25101 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
FADS1 O60427 6/20 0.40
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL2660645 0.84 GRM4 (0.58) GRM4LMNAMAPK1FADS1SMN1; SMN2
SCHEMBL2660635 0.84 GRM4 (0.58) GRM4MAPK1FADS1NPC1RAB9A
SCHEMBL2660111 0.84 GRM4 (0.58) GRM4LMNAMAPK1FADS1
SCHEMBL2668091 0.82 GRM4 (0.55) GRM4MAPK1FADS1
SCHEMBL2659835 0.81 GRM4 (0.54) GRM4GSK3BKDM4EMAPK1FADS1
SCHEMBL2662190 0.81 GRM4 (0.54) GRM4MAPK1FADS1SMN1; SMN2
SCHEMBL2660583 0.81 GRM4 (0.54) GRM4ALDH1A1TDP1MAPK1FADS1
SCHEMBL2662181 0.81 GRM4 (0.54) GRM4GSK3BKDM4EALDH1A1MAPK1
SCHEMBL2654720 0.81 GRM4 (0.54) GRM4LMNAMAPK1FADS1NPC1
SCHEMBL2668300 0.80 GRM4 (0.57) GRM4ALDH1A1MAPK1FADS1NPC1

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-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 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 (1 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM4 1511/4885GSK3B 928/4885LMNA 3354/4885

“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.