SCHEMBL12679233

SCHEMBL12679233

Cn1nccc1-c1ccc(C(=O)NC(CNC(=O)OC(C)(C)C)c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.40
PCSK9 Q8NBP7 1/20 0.38
HPGDS O60760 4/20 0.38
ACKR3 P25106 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
SYK P43405 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA2 P17301 1/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
GRK5 P34947 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL12679569 0.85 MMP12 (0.38) AKT1PCSK9AVPR2AVPR1ASYK
SCHEMBL12679579 0.84 AKT1 (0.38) AKT1PCSK9AVPR2AVPR1ASYK
SCHEMBL1529287 0.82 AKT1 (0.56) AKT1HPGDSITGB1ITGA2MAP4K4
SCHEMBL8233787 0.80 HDAC3 (0.43) ACKR3SYKCTSSCTSK
SCHEMBL1529450 0.79 AKT1 (0.43) AKT1HPGDSITGB1ITGA2
SCHEMBL8242361 0.78 AKT1 (0.71) AKT1HPGDS
SCHEMBL12679259 0.77 SYK (0.45) AKT1PCSK9ACKR3SYKCTSS
SCHEMBL12679232 0.76 SYK (0.38) SYKCTSSCTSK
SCHEMBL8240267 0.76 AKT1 (0.44) AKT1SYKCTSSCTSK
SCHEMBL4541679 0.76 AKT1 (0.41) AKT1HPGDSITGB1ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY NOVARTIS AG (CH) 2015-06-04 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
EP-2117523-B1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2014-06-25 EP disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20110071182-A1 Inhibitors of AKT Activity SMITHKLINE BEECHAM CORPORATION 2011-03-24 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 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 (7 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 AKT1 2/4885PCSK9 4169/4885HPGDS 2000/4885

“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.