SCHEMBL513675

SCHEMBL513675

C[C@]1(O)C[C@](N)(c2ccc(-c3nc(-c4cncnc4)sc3-c3ccccc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.45
AKT2 P31751 20/20 0.45

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
SCHEMBL10141102 1.00 AKT1 (0.45) AKT1AKT2
SCHEMBL513674 1.00 AKT1 (0.45) AKT1AKT2
SCHEMBL10141083 0.91 ALOX5 (0.49) AKT1AKT2
SCHEMBL514205 0.91 ALOX5 (0.49) AKT1AKT2
SCHEMBL514204 0.91 ALOX5 (0.49) AKT1AKT2
SCHEMBL513854 0.86 AKT1 (0.49) AKT1AKT2
SCHEMBL10141130 0.86 AKT1 (0.49) AKT1AKT2
SCHEMBL513855 0.86 AKT1 (0.49) AKT1AKT2
SCHEMBL514786 0.86 AKT1 (0.47) AKT1AKT2
SCHEMBL10141093 0.86 AKT1 (0.47) AKT1AKT2

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 121/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 AKT1 8/4885AKT2 3/4885

“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.