SCHEMBL690731

SCHEMBL690731

CCn1c(-c2nonc2N)nc2c(Cl)ncc(Br)c21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 15/20 0.63
SLC2A1 P11166 1/20 0.54
RPS6KA1 Q15418 5/20 0.48
AKT1 P31749 5/20 0.48
ROCK1 Q13464 7/20 0.46
RPS6KB1 P23443 2/20 0.46
CDK2 P24941 1/20 0.46
DYRK1A Q13627 1/20 0.46
PRKACA P17612 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL4717856 0.88 RPS6KA5 (0.65) RPS6KA5RPS6KA1AKT1ROCK1RPS6KB1
SCHEMBL690780 0.86 RPS6KA5 (0.61) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1
SCHEMBL14534949 0.86 RPS6KA5 (0.61) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1
SCHEMBL5597164 0.84 ROCK1 (0.50) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1
SCHEMBL4715708 0.84 RPS6KA5 (0.60) RPS6KA5RPS6KA1AKT1ROCK1RPS6KB1
SCHEMBL4295261 0.82 AKT1 (0.61) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1
SCHEMBL21350454 0.81 AKT1 (0.73) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1
SCHEMBL4288171 0.80 SLC2A1 (0.57) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1
SCHEMBL4715816 0.78 RPS6KA5 (0.53) RPS6KA5RPS6KA1AKT1ROCK1
SCHEMBL4296943 0.78 SLC2A1 (0.57) RPS6KA5SLC2A1RPS6KA1AKT1ROCK1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP claimed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US claimed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
EP-2286232-B1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2012-02-29 EP disclosed
EP-2286232-B1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2012-02-29 EP disclosed
CN-102027371-A Methods for the identification of PARP interacting molecules and for purification of PARP proteins CELLZOME AG 2011-04-20 CN disclosed
US-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG 2011-03-24 US disclosed
US-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG 2011-03-24 US disclosed
EP-2286232-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS CELLZOME AG (DE) 2011-02-23 EP disclosed
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
WO-2007058879-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058852-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885SLC2A1 3039/4885RPS6KA1 127/4885
US-20110070595-A1 METHODS FOR THE IDENTIFICATION OF PARP INTERACTING MOLECULES AND FOR PURIFICATION OF PARP PROTEINS PARP3, PARP11, PARP12 RPS6KA5 2006/4885SLC2A1 4443/4885RPS6KA1 2572/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885SLC2A1 3039/4885RPS6KA1 127/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885SLC2A1 3039/4885RPS6KA1 127/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA RPS6KA5 82/4885SLC2A1 3298/4885RPS6KA1 185/4885

“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.