SCHEMBL513115

SCHEMBL513115

NC1(c2ccc(-c3nc(NS(=O)(=O)c4cccs4)sc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.46
CDC25B P30305 7/20 0.46
DUSP3 P51452 7/20 0.46
KDM1A O60341 2/20 0.45
AKT1 P31749 10/20 0.42
AKT2 P31751 7/20 0.42
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
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
SCHEMBL513483 0.82 CDC25B (0.49) PTPN1CDC25BDUSP3KDM1AAKT1
SCHEMBL12285679 0.80 KDM1A (0.47) PTPN1CDC25BDUSP3KDM1AMEN1
SCHEMBL513667 0.79 KMT2A (0.57) AKT1AKT2MEN1PKMKMT2A
SCHEMBL513165 0.78 CDC25B (0.46) PTPN1CDC25BDUSP3KDM1AAKT1
SCHEMBL513162 0.75 PTGS2 (0.47) AKT1AKT2
SCHEMBL513460 0.74 ADORA2A (0.53) AKT1AKT2MEN1KMT2A
SCHEMBL513961 0.73 ADORA2A (0.53) AKT1AKT2MEN1KMT2A
SCHEMBL513821 0.72 KMT2A (0.48) AKT1AKT2MEN1KMT2A
SCHEMBL513717 0.71 PTGS2 (0.65) AKT1AKT2
SCHEMBL513703 0.71 AKT1 (0.54) 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 12 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
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
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 PTPN1 38/4885CDC25B 491/4885DUSP3 116/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 PTPN1 296/4885CDC25B 253/4885DUSP3 116/4885

“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.