SCHEMBL1006796

SCHEMBL1006796

CN1CCc2c(C(=O)O)csc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.39
MAPK8 P45983 2/20 0.39
CSNK1A1 P48729 2/20 0.39
LIMK1 P53667 2/20 0.39
PRKAA1 Q13131 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL14532683 0.84 CHEK1 (0.41) LRRK2MAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL1008018 0.80 MEN1 (0.41) TSHRHPGDKDM4EALDH1A1MAPT
SCHEMBL14502268 0.73 MAPK8 (0.45) LRRK2MAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL5355928 0.70 MAPK8 (0.42) LRRK2MAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL29503117 0.70 ALDH1A1 (0.54) HPGDRAD52KDM4EALDH1A1MAPT
SCHEMBL5350851 0.69 MAPK8 (0.39) LRRK2MAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL1274290 0.66 MEN1 (0.46) GRM5ALDH1A1LMNA
SCHEMBL5350197 0.64 POLB (0.38) LRRK2MAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL5350206 0.64 POLB (0.38) LRRK2MAPK8CSNK1A1LIMK1PRKAA1
SCHEMBL23336556 0.60 GRM5 (0.47) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 LRRK2 1731/4885MAPK8 1230/4885CSNK1A1 847/4885

“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.