SCHEMBL513690

SCHEMBL513690

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ADORA3 P0DMS8 8/20 0.50
ADORA1 P30542 7/20 0.50
ADORA2A P29274 5/20 0.50
CHRM5 P08912 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADORA2B P29275 1/20 0.50
DRD4 P21917 1/20 0.49
TSPO P30536 1/20 0.49
DRD3 P35462 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 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
SCHEMBL513231 0.82 LMNA (0.58) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL14883154 0.81 AKT1 (0.55) ALDH1A1AKT1AKT2KMT2AMAPT
SCHEMBL2562231 0.78 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL6546460 0.73 ADORA3 (0.71) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL6281497 0.73 ADORA3 (0.71) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL10268661 0.73 AKT1 (0.62) AKT1AKT2
SCHEMBL12133199 0.73 AKT1 (0.52) AKT1AKT2
SCHEMBL1351627 0.72 AKT1 (0.49) AKT1AKT2
SCHEMBL6282312 0.72 ADORA3 (0.73) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL14119116 0.72 AKT1 (0.42) 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 2 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 disclosed
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 US 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 4175/4885LMNA 3191/4885KDM4E 2474/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 ALDH1A1 2937/4885LMNA 3966/4885KDM4E 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.