SCHEMBL5389869

SCHEMBL5389869

COC(OC)c1cc(-c2cccc([C](C)C(N)=O)c2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.37
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CTSA P10619 1/20 0.33
PLA2G10 O15496 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
RIPK2 O43353 1/20 0.32

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
SCHEMBL5396375 0.80 FYN (0.39) FYNCTSAPLA2G10
SCHEMBL5389341 0.80 FYN (0.39) FYNPDE4DPLA2G10
SCHEMBL8312951 0.77 DYRK3 (0.37) FYN
SCHEMBL5389872 0.73 DYRK1A (0.38) FYN
SCHEMBL5389145 0.73 CLK4 (0.41) PDE4DPIK3CDABL1EGFRHCK
SCHEMBL3342644 0.68 ALDH1A1 (0.52) FYNPDE4DCTSAPLA2G10PIK3CD
SCHEMBL798894 0.68 FYN (0.52) FYNABL1KDR
SCHEMBL5387443 0.67 FYN (0.38) FYN
SCHEMBL5097619 0.67 KMT2A (0.40) FYN
SCHEMBL6165772 0.66 GABRG2 (0.46) PDE4D

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-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 US disclosed
US-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2006-11-23 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-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease BACE1, BACE2, PSEN1 FYN 1228/4885PDE4D 906/4885PDE10A 1993/4885

“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.