SCHEMBL10193097

SCHEMBL10193097

C=C(C)OC(=O)NCC1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.73
ROCK2 O75116 10/20 0.67
AKT2 P31751 8/20 0.67
AKT3 Q9Y243 8/20 0.67
KCNH2 Q12809 6/20 0.67

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
SCHEMBL10156500 0.89 AKT1 (0.74) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL29436070 0.89 AKT1 (0.74) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL4152204 0.88 AKT1 (0.81) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL391464 0.85 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL387983 0.85 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL387982 0.85 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL387281 0.81 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL390673 0.81 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL391158 0.81 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL29436069 0.79 AKT1 (0.74) AKT1ROCK2AKT2AKT3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101623-B2 Substituted pyrrolo[2,3-d]pyrimidine as a protein kinase B inhibitor ASTRAZENECA AB (SE) 2012-01-24 US disclosed
US-20090163524-A1 Novel Protein Kinase B Inhibitors - 060 ASTRAZENECA AB (SE) 2009-06-25 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-20090163524-A1 Novel Protein Kinase B Inhibitors - 060 PRKAR2B, PRKCB, MAP3K20 AKT1 4/4885ROCK2 85/4885AKT2 6/4885

“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.