SCHEMBL2659927

SCHEMBL2659927

FC(F)(F)c1cccc2c(Nc3nccs3)n[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GRM4 Q14833 1/20 0.48
▸ EGFR P00533 1/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 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
SCHEMBL2660773 0.83 GRM4 (0.51) ALDH1A1TDP1GRM4EGFRTRPA1
SCHEMBL2661213 0.80 GRM4 (0.57) ALDH1A1TDP1GRM4ADRA2AAURKA
SCHEMBL2668093 0.77 GRM4 (0.47) ALDH1A1TDP1GRM4PLA2G7ADRA2A
SCHEMBL11698454 0.74 KIF11 (0.42) ALDH1A1TDP1EGFRTRPA1KIF11
SCHEMBL2660583 0.72 GRM4 (0.54) ALDH1A1TDP1GRM4TRPA1KIF11
SCHEMBL4796082 0.71 FADS1 (0.61) GRM4EGFRTRPA1AURKB
SCHEMBL5583098 0.69 KIF11 (0.38) ALDH1A1EGFRTRPA1KIF11KDM4E
SCHEMBL2661233 0.67 CHEK1 (0.55) ALDH1A1KIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL13122112 0.67 KIF11 (0.47) ALDH1A1EGFRTRPA1KIF11KDM4E
SCHEMBL786506 0.67 USP1 (0.63) ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 — — EP claimed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 — — US claimed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 — — WO claimed
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 — — EP disclosed
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
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
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 ALDH1A1 1527/4885TDP1 2852/4885GRM4 1511/4885

“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.

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