SCHEMBL513689

SCHEMBL513689

NC1(c2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)sc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.43
AKT2 P31751 14/20 0.43
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL514477 0.82 KMT2A (0.50) AKT1AKT2
SCHEMBL12284202 0.80 SLC2A1 (0.46) HRH3
SCHEMBL12289073 0.79 AKT1 (0.36) AKT1AKT2
SCHEMBL513703 0.79 AKT1 (0.54) AKT1AKT2
SCHEMBL14876667 0.76 AKT1 (0.42) AKT1AKT2
SCHEMBL513652 0.75 AKT1 (0.50) AKT1AKT2
SCHEMBL514503 0.75 PTGS2 (0.47) AKT1AKT2
SCHEMBL513717 0.75 PTGS2 (0.65) AKT1AKT2
SCHEMBL12289037 0.73 AKT1 (0.38) AKT1AKT2
SCHEMBL515216 0.73 AKT1 (0.56) 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 9 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
WO-2011130921-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO claimed
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US disclosed
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US disclosed
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
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 US disclosed
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 US disclosed
WO-2011130921-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO 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 121/4885HRH3 4801/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 AKT1 8/4885AKT2 3/4885HRH3 4549/4885

“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.