SCHEMBL10194432

SCHEMBL10194432

C[C@H](NC(=O)C1(N)CCN(c2ncnc3c2CCN3)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 12/20 0.69
▸ AKT1S1 Q96B36 4/20 0.58
▸ ROCK2 O75116 6/20 0.56
▸ AKT2 P31751 6/20 0.56
▸ AKT3 Q9Y243 6/20 0.56
▸ KCNH2 Q12809 4/20 0.56
▸ RPS6KB1 P23443 4/20 0.54

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
SCHEMBL390419 0.82 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL11027365 0.82 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL10193560 0.77 AKT1 (0.70) AKT1AKT1S1ROCK2AKT2AKT3
SCHEMBL13657173 0.77 AKT2 (0.68) AKT1AKT1S1ROCK2AKT2AKT3
SCHEMBL11946592 0.76 RPS6KB1 (0.70) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL11946761 0.76 RPS6KB1 (0.70) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL10194438 0.75 AKT1 (0.71) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL11946903 0.74 AKT1 (0.70) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL13369029 0.74 AKT2 (0.55) AKT1AKT1S1ROCK2AKT2AKT3
SCHEMBL10193564 0.74 AKT1 (0.71) 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 4/4885AKT1S1 84/4885ROCK2 85/4885

“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.

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