SCHEMBL512699

SCHEMBL512699

C[C@]1(O)C[C@](N)(c2ccc(-c3nc(N4CCN(c5cnccn5)CC4)sc3-c3ccccc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.45
AKT2 P31751 16/20 0.45
SLC6A7 Q99884 1/20 0.41
KMT2A Q03164 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
SCHEMBL512700 1.00 AKT1 (0.45) AKT1AKT2SLC6A7KMT2A
SCHEMBL10141150 1.00 AKT1 (0.45) AKT1AKT2SLC6A7KMT2A
SCHEMBL514277 0.90 AKT1 (0.46) AKT1AKT2KMT2A
SCHEMBL10141157 0.90 AKT1 (0.46) AKT1AKT2KMT2A
SCHEMBL514276 0.90 AKT1 (0.46) AKT1AKT2KMT2A
SCHEMBL12289621 0.87 SLC6A7 (0.42) AKT1AKT2SLC6A7KMT2A
SCHEMBL14876924 0.86 SLC6A7 (0.42) AKT1AKT2SLC6A7KMT2A
SCHEMBL14876926 0.86 SLC6A7 (0.42) AKT1AKT2SLC6A7KMT2A
SCHEMBL10141155 0.85 AKT1 (0.47) AKT1AKT2KMT2A
SCHEMBL513271 0.85 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 4 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
EP-2579872-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2013-04-17 EP 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 121/4885SLC6A7 3292/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 AKT1 8/4885AKT2 3/4885SLC6A7 1342/4885

“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.