SCHEMBL3322747

SCHEMBL3322747

CC(COc1cc(-c2cnn(C)c2)cc([N+](=O)[O-])c1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
ERN1 O75460 1/20 0.39
MAP4K1 Q92918 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
ALK Q9UM73 1/20 0.35
MET P08581 1/20 0.35
HCAR2 Q8TDS4 3/20 0.35
CLK1 P49759 3/20 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
SCHEMBL1572958 0.88 GSK3B (0.42) CHRNB4CHRNA3ERN1MAP4K1MAPT
SCHEMBL1572960 0.88 GSK3B (0.42) CHRNB4CHRNA3ERN1MAP4K1MAPT
SCHEMBL1573943 0.88 GSK3B (0.42) CHRNB4CHRNA3ERN1MAP4K1MAPT
SCHEMBL1571158 0.83 MAP4K1 (0.43) MAP4K1LOXL2AXLMERTKMET
SCHEMBL1571371 0.80 PTGS2 (0.45) CHRNB4CHRNA3ERN1MAPTMEN1
SCHEMBL1877328 0.80 ERN1 (0.38) CHRNB4CHRNA3ERN1MAP4K1MAPT
SCHEMBL1877330 0.80 ERN1 (0.38) CHRNB4CHRNA3ERN1MAP4K1MAPT
SCHEMBL1571761 0.79 PDK2 (0.47) CHRNB4CHRNA3ERN1MAPTMEN1
SCHEMBL1571401 0.76 MAPT (0.33) CHRNB4CHRNA3MAPTSMN1; SMN2
SCHEMBL17795065 0.76 LOXL2 (0.50) ERN1MAP4K1MAPTMEN1KMT2A

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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CHRNB4 4428/4885CHRNA3 3910/4885ERN1 876/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CHRNB4 4700/4885CHRNA3 4585/4885ERN1 984/4885

“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.