SCHEMBL513827

SCHEMBL513827

COc1ncccc1C(=O)Nc1nc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ADORA1 P30542 5/20 0.47
ADORA3 P0DMS8 4/20 0.47
ADORA2A P29274 3/20 0.47
AKT1 P31749 10/20 0.46
AKT2 P31751 9/20 0.46
USP2 O75604 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
XIAP P98170 1/20 0.43
ADORA2B P29275 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.88 AKT1 (0.47) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513124 0.87 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513961 0.85 ADORA2A (0.53) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513460 0.84 ADORA2A (0.53) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513231 0.81 LMNA (0.58) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513667 0.79 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513821 0.79 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL513801 0.78 ADORA2A (0.46) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL12286845 0.75 XIAP (0.45) KMT2AMEN1MAPTALDH1A1ADORA1
SCHEMBL14855271 0.75 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 11 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-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 465/4885MAPT 1754/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 KMT2A 1650/4885MEN1 961/4885MAPT 4221/4885

“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.