SCHEMBL14005389

SCHEMBL14005389

CC(C)(C)c1cncc(OC[C@@H](N)CNCC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.35
PRKACA P17612 3/20 0.34
PRKACG P22612 3/20 0.34
PRKACB P22694 3/20 0.34
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
DCLK1 O15075 1/20 0.33
MAPK13 O15264 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PAK4 O96013 1/20 0.33
CHEK2 O96017 1/20 0.33
CDK1 P06493 1/20 0.33
ROS1 P08922 1/20 0.33
PHKG2 P15735 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL14031015 0.83 AKT1 (0.37) AKT1PRKACAPRKACGPRKACBCDC7
SCHEMBL14005324 0.82 CYP2D6 (0.37) AKT1PRKACAROCK2RPS6KB1AKT2
SCHEMBL14004847 0.79 AKT1 (0.42) AKT1PRKACAPDPK1ROCK2RPS6KB1
SCHEMBL14004852 0.79 AKT1 (0.42) AKT1PRKACAPDPK1ROCK2RPS6KB1
SCHEMBL14005638 0.79 AKT1 (0.42) AKT1PRKACAPDPK1ROCK2RPS6KB1
SCHEMBL14005347 0.78 AKT1 (0.42) AKT1
SCHEMBL14005355 0.78 AKT1 (0.43) AKT1PRKACAROCK2RPS6KA5RPS6KB1
SCHEMBL14005149 0.78 AKT1 (0.36) AKT1PRKACAPRKACGPRKACBCDC7
SCHEMBL14005318 0.77 AKT1 (0.47) AKT1PRKACAPRKACGPRKACBCDC7
SCHEMBL14005428 0.76 AKT1 (0.42) AKT1PRKACAPRKACGPRKACBCDC7

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 157/4885PRKACA 6/4885PRKACG 13/4885

“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.