SCHEMBL514204

SCHEMBL514204

CC1(O)CC(N)(c2ccc(-c3nc(-c4cccnc4)sc3-c3ccccc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
AKT1 P31749 13/20 0.49
AKT2 P31751 13/20 0.49
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10141083 1.00 ALOX5 (0.49) ALOX5AKT1AKT2PTGS2KDM4E
SCHEMBL514205 1.00 ALOX5 (0.49) ALOX5AKT1AKT2PTGS2KDM4E
SCHEMBL513675 0.91 AKT1 (0.45) AKT1AKT2
SCHEMBL513674 0.91 AKT1 (0.45) AKT1AKT2
SCHEMBL10141102 0.91 AKT1 (0.45) AKT1AKT2
SCHEMBL10141130 0.85 AKT1 (0.49) ALOX5AKT1AKT2
SCHEMBL513854 0.85 AKT1 (0.49) ALOX5AKT1AKT2
SCHEMBL513855 0.85 AKT1 (0.49) ALOX5AKT1AKT2
SCHEMBL514565 0.84 AKT1 (0.44) AKT1AKT2
SCHEMBL514564 0.84 AKT1 (0.44) 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 5 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
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
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 ALOX5 1842/4885AKT1 172/4885AKT2 121/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 ALOX5 3617/4885AKT1 8/4885AKT2 3/4885

“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.