SCHEMBL513124

SCHEMBL513124

NC1(c2ccc(-c3nc(NC(=O)c4cccnc4Cl)sc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
AKT1 P31749 10/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
AKT2 P31751 6/20 0.43
XIAP P98170 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2B P29275 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 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
SCHEMBL514227 0.90 AKT1 (0.47) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513961 0.89 ADORA2A (0.53) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513827 0.87 KMT2A (0.48) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513460 0.82 ADORA2A (0.53) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513231 0.82 LMNA (0.58) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513801 0.82 ADORA2A (0.46) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513667 0.80 KMT2A (0.57) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL513821 0.79 KMT2A (0.48) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL12286845 0.77 XIAP (0.45) ALDH1A1AKT1ADORA2AADORA1AKT2
SCHEMBL14855271 0.77 AKT1 (0.52) 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 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 ALDH1A1 4175/4885AKT1 172/4885ADORA2A 1147/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 ALDH1A1 2937/4885AKT1 8/4885ADORA2A 2590/4885

“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.