SCHEMBL12679259

SCHEMBL12679259

CCn1nccc1-c1ccc(C(=O)NC(CNC(=O)OC(C)(C)C)Cc2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.45
APP P05067 4/20 0.39
CTSS P25774 2/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CYP3A4 P08684 5/20 0.37
ALDH1A1 P00352 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACKR3 P25106 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL12679269 0.86 AKT1 (0.43) SYKATMAPPCTSSCTSL
SCHEMBL1529466 0.85 DYRK1A (0.42) DYRK1ADYRK1BAKT1
SCHEMBL12679257 0.83 ATM (0.45) SYKATMAPPCTSSDYRK1A
SCHEMBL1529682 0.82 DYRK1A (0.38) DYRK1ADYRK1BCYP3A4ACKR3
SCHEMBL12679256 0.81 ATM (0.45) SYKATMAPPCTSSDYRK1A
SCHEMBL12679237 0.78 ATM (0.43) SYKATMAPPCTSSCTSL
SCHEMBL4543913 0.78 HPGDS (0.36) DYRK1ADYRK1BACKR3AKT1
SCHEMBL4583212 0.77 ATM (0.52) SYKATMAPPCTSSCTSL
SCHEMBL12679233 0.77 AKT1 (0.40) SYKCTSSCTSKPCSK9ACKR3
SCHEMBL8240130 0.77 AKT1 (0.43) SYKATMAPPDYRK1ADYRK1B

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 21 patents — showing the first 20. 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-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-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
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
CN-101646427-B Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2013-06-12 CN 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-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

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 SYK 599/4885ATM 2376/4885APP 4729/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885ATM 2376/4885APP 4729/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885ATM 2376/4885APP 4729/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 SYK 599/4885ATM 2376/4885APP 4729/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 SYK 599/4885ATM 2376/4885APP 4729/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885ATM 2376/4885APP 4729/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885ATM 2376/4885APP 4729/4885

“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.