SCHEMBL514477

SCHEMBL514477

NC1(c2ccc(-c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)sc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.45
HPGD P15428 5/20 0.45
PTGS2 P35354 2/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
MMP14 P50281 1/20 0.42
RECQL P46063 1/20 0.42
AKT1 P31749 3/20 0.42
AKT2 P31751 3/20 0.42
TSHR P16473 1/20 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
SCHEMBL513717 0.83 PTGS2 (0.65) PTGS2AKT1AKT2
SCHEMBL513689 0.82 AKT1 (0.43) AKT1AKT2
SCHEMBL12289037 0.80 AKT1 (0.38) AKT1AKT2
SCHEMBL513703 0.77 AKT1 (0.54) AKT1AKT2
SCHEMBL514503 0.75 PTGS2 (0.47) PTGS2AKT1AKT2
SCHEMBL513652 0.73 AKT1 (0.50) AKT1AKT2
SCHEMBL12289073 0.72 AKT1 (0.36) AKT1AKT2
SCHEMBL14876667 0.72 AKT1 (0.42) AKT1AKT2
SCHEMBL513162 0.71 PTGS2 (0.47) PTGS2AKT1AKT2
SCHEMBL515216 0.71 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 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-2011130921-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
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 KMT2A 2913/4885MEN1 465/4885GAA 125/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 KMT2A 1650/4885MEN1 961/4885GAA 892/4885

“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.