SCHEMBL4061891

SCHEMBL4061891

CCn1c(-c2nonc2N)nc2c(-c3cc(Cl)ccc3Cl)ncc(C(=O)N3CCC(NC)C3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
RPS6KA5 O75582 13/20 0.52
AKT1 P31749 13/20 0.52
ROCK1 Q13464 12/20 0.52
AKT2 P31751 9/20 0.52
AKT3 Q9Y243 8/20 0.52
RPS6KA1 Q15418 6/20 0.52
ROCK2 O75116 2/20 0.52
GSK3A P49840 2/20 0.52
DYRK1A Q13627 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
PIM1 P11309 1/20 0.52
PRKACA P17612 1/20 0.52
MARK3 P27448 1/20 0.52
GRK5 P34947 1/20 0.52
CDK8 P49336 1/20 0.52
CLK2 P49760 1/20 0.52
GSK3B P49841 1/20 0.52
CDK7 P50613 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL5066238 0.95 SLC2A1 (0.60) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4071562 0.91 SLC2A1 (0.63) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL5063581 0.89 SLC2A1 (0.55) SLC2A1RPS6KA5AKT1ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5063573 0.86 SLC2A1 (0.71) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4250618 0.86 SLC2A1 (0.60) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4065937 0.85 SLC2A1 (0.63) SLC2A1RPS6KA5AKT1ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5062962 0.85 SLC2A1 (0.62) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4072487 0.84 SLC2A1 (0.63) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4242402 0.83 SLC2A1 (0.61) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4071938 0.82 SLC2A1 (0.67) SLC2A1RPS6KA5AKT1ROCK1AKT2

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 8 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 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-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
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 (1 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 SLC2A1 3039/4885RPS6KA5 156/4885AKT1 5/4885

“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.