SCHEMBL14520982

SCHEMBL14520982

COC(C)(C)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
ENPP2 Q13822 1/20 0.39
CNR2 P34972 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TSHR P16473 1/20 0.37
VNN1 O95497 1/20 0.36
AR P10275 1/20 0.36
GLA P06280 1/20 0.35
PTPN5 P54829 1/20 0.35
P4HB P07237 1/20 0.35
CNR1 P21554 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL179266 0.80 KIF11 (0.50) KIF11ENPP2PDK1PDK2PDK3
SCHEMBL481292 0.80 KIF11 (0.38) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL44954 0.80 MAPK1 (0.44) KIF11
SCHEMBL4698814 0.77 KIF11 (0.42) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL153970 0.77 KIF11 (0.47) KIF11ENPP2PDK1PDK2PDK3
SCHEMBL22667407 0.77 KIF11 (0.44) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL1111305 0.77 PDK1 (0.45) KIF11ENPP2PDK1PDK2PDK3
SCHEMBL21891465 0.77 KIF11 (0.44) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL12262386 0.77 ENPP2 (0.46) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL31592675 0.77 KIF11 (0.47) KIF11ENPP2PDK1PDK2PDK3

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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH KIF11 4550/4885ENPP2 270/4885CNR2 4725/4885

“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.