SCHEMBL514276

SCHEMBL514276

CC1(O)CC(N)(c2ccc(-c3nc(N4CCN(c5ccccn5)CC4)sc3-c3ccccc3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.46
AKT2 P31751 15/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10141157 1.00 AKT1 (0.46) AKT1AKT2LMNAMAPTHTT
SCHEMBL514277 1.00 AKT1 (0.46) AKT1AKT2LMNAMAPTHTT
SCHEMBL512699 0.90 AKT1 (0.45) AKT1AKT2KMT2A
SCHEMBL512700 0.90 AKT1 (0.45) AKT1AKT2KMT2A
SCHEMBL10141150 0.90 AKT1 (0.45) AKT1AKT2KMT2A
SCHEMBL513070 0.88 KMT2A (0.55) AKT1AKT2KMT2A
SCHEMBL10141161 0.88 KMT2A (0.55) AKT1AKT2KMT2A
SCHEMBL513069 0.88 KMT2A (0.55) AKT1AKT2KMT2A
SCHEMBL513271 0.86 AKT1 (0.47) AKT1AKT2KMT2A
SCHEMBL10141155 0.86 AKT1 (0.47) AKT1AKT2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US claimed
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US disclosed
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 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-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B AKT1 172/4885AKT2 121/4885LMNA 3191/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 AKT1 8/4885AKT2 3/4885LMNA 3966/4885

“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.