SCHEMBL14005446

SCHEMBL14005446

CC(C)(C)c1cncc(OC[C@@H](N)COc2ccc(Cl)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.38
PIM1 P11309 4/20 0.35
RPS6KB1 P23443 4/20 0.35
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
CDC42BPA Q5VT25 4/20 0.35
RPS6KA5 O75582 3/20 0.35
PRKG2 Q13237 3/20 0.35
PRKG1 Q13976 3/20 0.35
PKN2 Q16513 3/20 0.35
PIM3 Q86V86 3/20 0.35
PBK Q96KB5 3/20 0.35
PRKD2 Q9BZL6 3/20 0.35
MKNK2 Q9HBH9 3/20 0.35
STK17A Q9UEE5 3/20 0.35
AKT3 Q9Y243 3/20 0.35
AKT2 P31751 3/20 0.35
CSNK1D P48730 3/20 0.35
PRKX P51817 2/20 0.35
CDC7 O00311 2/20 0.35

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
SCHEMBL14005428 0.85 AKT1 (0.42) AKT1RPS6KB1RPS6KA5PRKG2PRKG1
SCHEMBL14030189 0.82 AKT1 (0.41) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14005445 0.81 LMNA (0.38) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14005442 0.80 AKT1 (0.45) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14005444 0.79 AKT1 (0.37) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14005424 0.78 AKT1 (0.41) AKT1PRKACA
SCHEMBL14004847 0.78 AKT1 (0.42) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14004852 0.78 AKT1 (0.42) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14005638 0.78 AKT1 (0.42) AKT1PIM1RPS6KB1GSK3AGSK3B
SCHEMBL14004833 0.77 AKT1 (0.57) AKT1PIM1RPS6KB1GSK3AGSK3B

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 157/4885PIM1 184/4885RPS6KB1 250/4885

“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.