SCHEMBL515990

SCHEMBL515990

CN(C)C(=O)CN1CCN(c2nc(-c3ccc([C@]4(N)C[C@](C)(O)C4)cc3)c(-c3ccccc3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.43
AKT2 P31751 17/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL515989 1.00 AKT1 (0.43) AKT1AKT2KDM4ENPC1LMNA
SCHEMBL514528 0.89 AKT1 (0.44) AKT1AKT2
SCHEMBL514527 0.89 AKT1 (0.44) AKT1AKT2
SCHEMBL12286848 0.84 NPC1 (0.42) KDM4ENPC1LMNARAB9A
SCHEMBL10141161 0.84 KMT2A (0.55) AKT1AKT2
SCHEMBL513069 0.84 KMT2A (0.55) AKT1AKT2
SCHEMBL513070 0.84 KMT2A (0.55) AKT1AKT2
SCHEMBL513563 0.83 AR (0.45) AKT1AKT2
SCHEMBL513564 0.83 AR (0.45) AKT1AKT2
SCHEMBL10141153 0.83 AR (0.45) 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 10 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-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
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
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-2011133733-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO disclosed
WO-2011133733-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 121/4885KDM4E 2474/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 AKT1 8/4885AKT2 3/4885KDM4E 2109/4885

“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.