SCHEMBL20545103

SCHEMBL20545103

N#CCN(C(=O)C1(NC(=O)O)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.55
AKT2 P31751 10/20 0.54
ROCK2 O75116 5/20 0.53
AKT3 Q9Y243 4/20 0.53
KCNH2 Q12809 3/20 0.53
CYP2C9 P11712 2/20 0.53
JAK3 P52333 1/20 0.52
GSK3B P49841 4/20 0.51
CYP2D6 P10635 1/20 0.51
RPS6KB1 P23443 1/20 0.51

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
SCHEMBL3651970 0.89 AKT1 (0.55) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL391354 0.88 AKT1 (0.51) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL20544762 0.79 AKT1 (0.60) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL20545097 0.78 AKT1 (0.79) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL20544959 0.78 AKT1 (0.57) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3650884 0.78 AKT1 (0.52) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3488749 0.77 AKT1 (0.53) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3659051 0.77 AKT1 (0.51) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3655526 0.77 AKT1 (0.51) AKT1AKT2ROCK2AKT3KCNH2
SCHEMBL3656369 0.77 AKT2 (0.56) AKT1AKT2ROCK2AKT3KCNH2

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-20180312516-A1 Protein Kinase B Inhibitors ASTRAZENECA AB (SE) 2018-11-01 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-20180312516-A1 Protein Kinase B Inhibitors PRKAR2B, PRKCB, AKT1 AKT1 3/4885AKT2 4/4885ROCK2 60/4885

“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.