SCHEMBL683030

SCHEMBL683030

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
ATM Q13315 2/20 0.47
SCN9A Q15858 4/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
JAK2 O60674 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
APP P05067 4/20 0.43
POLB P06746 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
SCHEMBL14870407 0.92 ATM (0.47) CTSSCTSKATMSCN9AALDH1A1
SCHEMBL4728727 0.89 ATM (0.50) CTSSCTSKATMSCN9AAPP
SCHEMBL4900744 0.88 ATM (0.60) CTSSCTSKATMSCN9AAPP
SCHEMBL12336762 0.88 ATM (0.60) CTSSCTSKATMSCN9AAPP
SCHEMBL4898325 0.88 ATM (0.60) CTSSCTSKATMSCN9AAPP
SCHEMBL4900670 0.88 SCN9A (0.47) CTSSCTSKATMSCN9AAPP
SCHEMBL4890292 0.88 SCN9A (0.47) CTSSCTSKATMSCN9AAPP
SCHEMBL13260263 0.88 ATM (0.45) CTSSCTSKATMSCN9AALDH1A1
SCHEMBL4336440 0.85 CYP2D6 (0.41) ALDH1A1HPGDMAPK1HTTTSHR
SCHEMBL12544607 0.85 CA12 (0.39) CTSSCTSKALDH1A1HPGDLMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110129455-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110129455-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY GlaxoSmithKline, LLC 2011-04-21 US disclosed
WO-2009158376-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158372-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158371-A1 INHIBITORS OF AKT ACTIVITY SMITHKLIKE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158373-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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 (5 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-20110092423-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA CTSS 2108/4885CTSK 1544/4885ATM 1612/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA CTSS 3919/4885CTSK 2086/4885ATM 72/4885
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA CTSS 2108/4885CTSK 1544/4885ATM 1612/4885
US-20110129455-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PI4KB CTSS 2138/4885CTSK 1096/4885ATM 1142/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD CTSS 1322/4885CTSK 2557/4885ATM 759/4885

“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.