SCHEMBL4064280

SCHEMBL4064280

CCn1c(C2NONC2N)nc2cncc(Br)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 8/20 0.46
ROCK1 Q13464 6/20 0.32
AKT1 P31749 6/20 0.32
AKT2 P31751 6/20 0.32
AKT3 Q9Y243 6/20 0.32
ROCK2 O75116 2/20 0.31
GSK3A P49840 2/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
MARK3 P27448 1/20 0.31
GRK5 P34947 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3B P49841 1/20 0.31
CDK7 P50613 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKX P51817 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL17437583 0.70 RPS6KA5 (0.55) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL27191772 0.69 RPS6KA5 (0.57) RPS6KA5ROCK1DYRK1ACDK2RPS6KA1
SCHEMBL4720745 0.63 RPS6KA5 (1.00) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL14050028 0.63 RPS6KA5 (0.77) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL27192343 0.58 PARP1 (0.36) RPS6KA5LRRK2
SCHEMBL16054218 0.57 RPS6KA5 (0.41) RPS6KA5
SCHEMBL27191997 0.56 TLR7 (0.39) RPS6KA5
SCHEMBL17437447 0.56 RPS6KA5 (0.38) RPS6KA5
SCHEMBL17437421 0.55 ALDH1A1 (0.42) RPS6KA5
SCHEMBL15057859 0.55 RPS6KA5 (0.42) RPS6KA5

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 7 patents. 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 disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO 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 (2 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885ROCK1 478/4885AKT1 5/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA RPS6KA5 82/4885ROCK1 1167/4885AKT1 24/4885

“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.