SCHEMBL14718889

SCHEMBL14718889

CN(C(=O)O)c1nc(B2OC(C)(C)C(C)(C)O2)cs1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
KMT2A Q03164 4/20 0.34
GRM1 Q13255 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
USP30 Q70CQ3 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
UCHL1 P09936 3/20 0.31
ALOX15 P16050 1/20 0.31
SLC12A5 Q9H2X9 2/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6900233 0.82 MAPT (0.35) RAB9AKMT2AMAPTMEN1
SCHEMBL21330901 0.76 USP30 (0.46) USP30
SCHEMBL21484640 0.75 MEN1 (0.43) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL10015204 0.71 USP30 (0.63) USP30
SCHEMBL17142192 0.70 LPL (0.34)
SCHEMBL9941920 0.70 LPL (0.34)
SCHEMBL9955496 0.70 SLC12A5 (0.49) NPC1RAB9AKMT2AGRM1MAPT
SCHEMBL17065974 0.70 ALDH1A1 (0.34) KMT2AMAPTMEN1USP30SMN1; SMN2
SCHEMBL14718888 0.69 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL28513510 0.69 CA1 (0.33)

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-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 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-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 NPC1 1230/4885RAB9A 1569/4885KMT2A 1001/4885

“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.