SCHEMBL514672

SCHEMBL514672

Cc1n[nH]c(C)c1-c1nc(-c2ccc([C@]3(N)C[C@@](C)(O)C3)cc2)c(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 20/20 0.44
AKT1 P31749 19/20 0.44
CHEK1 O14757 1/20 0.40

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
SCHEMBL514671 1.00 AKT2 (0.44) AKT2AKT1CHEK1
SCHEMBL10141109 1.00 AKT2 (0.44) AKT2AKT1CHEK1
SCHEMBL10141089 0.82 AKT1 (0.44) AKT2AKT1
SCHEMBL513205 0.82 AKT1 (0.44) AKT2AKT1
SCHEMBL513206 0.82 AKT1 (0.44) AKT2AKT1
SCHEMBL513674 0.80 AKT1 (0.45) AKT2AKT1
SCHEMBL513675 0.80 AKT1 (0.45) AKT2AKT1
SCHEMBL10141102 0.80 AKT1 (0.45) AKT2AKT1
SCHEMBL10141110 0.79 AKT1 (0.55) AKT2AKT1
SCHEMBL513739 0.79 AKT1 (0.55) AKT2AKT1

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 AKT2 121/4885AKT1 172/4885CHEK1 1075/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 AKT2 3/4885AKT1 8/4885CHEK1 600/4885

“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.