SCHEMBL513667

SCHEMBL513667

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
RAB9A P51151 7/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 5/20 0.47
HTT P42858 4/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
XIAP P98170 2/20 0.46

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
SCHEMBL513460 0.85 ADORA2A (0.53) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL513961 0.84 ADORA2A (0.53) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL513821 0.84 KMT2A (0.48) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL513801 0.81 ADORA2A (0.46) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL513231 0.81 LMNA (0.58) KMT2AMEN1RAB9ALMNAMAPT
SCHEMBL514227 0.80 AKT1 (0.47) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL513124 0.80 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL12286845 0.80 XIAP (0.45) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL513827 0.79 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL513115 0.79 PTPN1 (0.46) KMT2AMEN1PKMAKT1AKT2

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 13 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
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 465/4885RAB9A 1126/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 KMT2A 1650/4885MEN1 961/4885RAB9A 1287/4885

“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.