SCHEMBL513231

SCHEMBL513231

NC1(c2ccc(-c3nc(NC(=O)c4cccnc4)sc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
ADORA1 P30542 8/20 0.55
ADORA3 P0DMS8 8/20 0.55
ADORA2A P29274 5/20 0.55
ADORA2B P29275 2/20 0.55
CHRM5 P08912 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
DRD4 P21917 1/20 0.54
TSPO P30536 1/20 0.54
DRD3 P35462 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
CFTR P13569 1/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.47

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 0.90 ADORA2A (0.53) ALDH1A1KDM4EADORA1ADORA3ADORA2A
SCHEMBL513961 0.85 ADORA2A (0.53) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL513821 0.84 KMT2A (0.48) ALDH1A1KDM4EADORA1ADORA3ADORA2A
SCHEMBL514227 0.83 AKT1 (0.47) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL513124 0.82 ALDH1A1 (0.47) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL513690 0.82 ALDH1A1 (0.52) LMNAALDH1A1KDM4EPOLBADORA1
SCHEMBL513827 0.81 KMT2A (0.48) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL513667 0.81 KMT2A (0.57) LMNAALDH1A1KDM4EADORA1ADORA3
SCHEMBL513801 0.80 ADORA2A (0.46) ALDH1A1KDM4EADORA1ADORA3ADORA2A
SCHEMBL12286845 0.78 XIAP (0.45) ALDH1A1ADORA1ADORA3ADORA2AADORA2B

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 LMNA 3191/4885ALDH1A1 4175/4885KDM4E 2474/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 LMNA 3966/4885ALDH1A1 2937/4885KDM4E 2109/4885

“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.