SCHEMBL14005448

SCHEMBL14005448

CC(C)(C)c1cncc(OC[C@@H](N)COc2cc(C#N)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.43
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ROCK2 O75116 2/20 0.34
PIM1 P11309 2/20 0.34
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
PRKCD Q05655 2/20 0.34
ROCK1 Q13464 2/20 0.34
DYRK1A Q13627 2/20 0.34
CDC42BPA Q5VT25 2/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34
CLK2 P49760 1/20 0.34
PRKX P51817 1/20 0.34
PRKG2 Q13237 1/20 0.34
PRKG1 Q13976 1/20 0.34
PKN2 Q16513 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
SCHEMBL14005444 0.84 AKT1 (0.37) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14030051 0.83 AKT1 (0.46) AKT1CYP11B1CYP11B2ROCK2PIM1
SCHEMBL14005442 0.81 AKT1 (0.45) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005457 0.77 AKT1 (0.38) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005441 0.75 AKT1 (0.39) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005446 0.75 AKT1 (0.38) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14004847 0.74 AKT1 (0.42) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14004852 0.74 AKT1 (0.42) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005638 0.74 AKT1 (0.42) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005428 0.74 AKT1 (0.42) AKT1ROCK2PRKACARPS6KB1ROCK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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 (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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 AKT1 157/4885CYP11B1 1317/4885CYP11B2 1289/4885

“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.