SCHEMBL12679604

SCHEMBL12679604

Cc1cnn(C)c1-c1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)sc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.38
ROCK1 Q13464 5/20 0.38
AKT1 P31749 3/20 0.36
CIT O14578 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACB P22694 1/20 0.36
AKT2 P31751 1/20 0.36
PKN1 Q16512 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
AKT3 Q9Y243 1/20 0.36
MMP12 P39900 4/20 0.35
MAPK1 P28482 4/20 0.35
SYK P43405 1/20 0.35
RORC P51449 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34

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 0.86 MMP12 (0.38) ROCK2ROCK1AKT1MMP12MAPK1
SCHEMBL27791743 0.84 AKT1 (0.49) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL1529317 0.84 AKT1 (0.49) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL14114831 0.84 AKT1 (0.45) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL12679599 0.84 AKT1 (0.45) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL1529991 0.81 AKT1 (0.37) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL1529994 0.81 AKT1 (0.37) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL12679579 0.79 AKT1 (0.38) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL4377924 0.77 AKT1 (0.38) ROCK2ROCK1AKT1CITPRKCB
SCHEMBL1529524 0.77 KCNH2 (0.53) ROCK2ROCK1AKT1CITPRKCB

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 15 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
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-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

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 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ROCK2 696/4885ROCK1 634/4885AKT1 2/4885

“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.