SCHEMBL3323146

SCHEMBL3323146

CC(C)(C)NN(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RECQL P46063 1/20 0.47
RIPK1 Q13546 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20136057 0.84 NPC1 (0.47) NPC1RAB9ARECQLRIPK1MEN1
SCHEMBL8075260 0.80 HCAR3 (0.40) NPC1RAB9AKMT2A
SCHEMBL3641494 0.79 NPC1 (0.55) AKT1NPC1RAB9AMEN1KMT2A
SCHEMBL8079386 0.77 RIPK1 (0.50) RIPK1MEN1KMT2ALMNAMAPT
SCHEMBL6235763 0.77 RIPK1 (0.50) RIPK1HTTLMNAMAPTALDH1A1
SCHEMBL8337464 0.77 GAA (0.43) RECQLMEN1KMT2AHTTLMNA
SCHEMBL11651848 0.75 NPC1 (0.50) AKT1NPC1RAB9AMEN1KMT2A
SCHEMBL13575261 0.74 MEN1 (0.58) AKT1NPC1RAB9ARECQLRIPK1
SCHEMBL3085177 0.73 NPC1 (0.48) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL10879649 0.72 NPC1 (0.47) AKT1NPC1RAB9AMEN1KMT2A

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 AKT1 235/4885NPC1 1538/4885RAB9A 1229/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 AKT1 191/4885NPC1 922/4885RAB9A 1347/4885

“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.