SCHEMBL6511852

SCHEMBL6511852

COCCOc1ccc2cncc(C3C(=O)Nc4ccc(C#N)cc43)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
ALK Q9UM73 2/20 0.39
PDGFRB P09619 2/20 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
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 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
SCHEMBL3942219 0.80 CHEK1 (0.60) CHEK1ALKPDGFRBAURKADAPK3
SCHEMBL5255277 0.80 CHEK1 (0.44) CHEK1ALKPDGFRBAURKADAPK3
SCHEMBL3935762 0.78 CHEK1 (0.58) CHEK1ALKPDGFRBAURKADAPK3
SCHEMBL5255729 0.78 CHEK1 (0.43) CHEK1ALKPDGFRBAURKADAPK3
Trifluoroacetic Acid SCHEMBL5256029 0.72 ALK (0.39) CHEK1ALKPDGFRBAURKADAPK3
SCHEMBL4518666 0.70 PDGFRB (0.46) CHEK1PDGFRBFGFR1FLT1KDR
Hydrochloric Acid SCHEMBL7206364 0.70 CHEK1 (0.46) CHEK1PDGFRBFGFR1FLT1KDR
SCHEMBL4680526 0.67 CHEK1 (0.56) CHEK1ALKPDGFRBAURKADAPK3
SCHEMBL27978989 0.66 NR3C2 (0.45) CHEK1ALKPDGFRBAURKADAPK3
SCHEMBL4680520 0.66 CHEK1 (0.55) CHEK1ALKPDGFRBAURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065170-A1 associated with the inhibition of glycogen synthase kinase-3, prevention and/or treatment of dementia related disease, Alzheimer's Disease etc.; example: 3-[6-(2-Methoxyethoxy)isoquinolin-1-yl]-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile ASTRAZENECA AB (SE) 2005-03-24 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 (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-20050065170-A1 associated with the inhibition of glycogen synthase kinase-3, prevention and/or treatment of dementia related disease, Alzheimer's Disease etc.; example: 3-[6-(2-Methoxyethoxy)isoquinolin-1-yl]-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile GSK3A, GSK3B, PYGB CHEK1 641/4885ALK 3843/4885PDGFRB 2337/4885

“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.