SCHEMBL30429347

SCHEMBL30429347

C#CC(C)(O)Cc1ncc(OC[C@H]2CCCNC2)c2c1nc(-c1nonc1N)n2CC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 0.75
▸ ROCK1 Q13464 18/20 0.75
▸ RPS6KA1 Q15418 15/20 0.75
▸ AKT2 P31751 13/20 0.75
▸ RPS6KA5 O75582 10/20 0.75
▸ AKT3 Q9Y243 8/20 0.75
▸ CIT O14578 1/20 0.75
▸ DCLK1 O15075 1/20 0.75
▸ DAPK3 O43293 1/20 0.75
▸ NUAK1 O60285 1/20 0.75
▸ PIP5K1C O60331 1/20 0.75
▸ ROCK2 O75116 1/20 0.75
▸ ULK1 O75385 1/20 0.75
▸ RPS6KA4 O75676 1/20 0.75
▸ PRKD3 O94806 1/20 0.75
▸ SMC2 O95347 1/20 0.75
▸ LATS1 O95835 1/20 0.75
▸ PAK4 O96013 1/20 0.75
▸ CHEK2 O96017 1/20 0.75
▸ PRKCB P05771 1/20 0.75

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
SCHEMBL30510962 1.00 AKT1 (0.75) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13693040 0.87 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13461478 0.87 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Gsk-690693 SCHEMBL2195376 0.85 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Gsk-690693 SCHEMBL310452 0.85 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Gsk-690693 SCHEMBL29387832 0.85 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL14050839 0.83 AKT1 (0.79) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL4071365 0.81 AKT1 (0.68) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487696 0.81 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL4804066 0.80 AKT1 (0.54) AKT1ROCK1RPS6KA1AKT2RPS6KA5

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-20230167106-A1 SERINE THREONINE KINASE (AKT) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2023-06-01 — — 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-20230167106-A1 SERINE THREONINE KINASE (AKT) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE MKNK1, MKNK2, MTOR AKT1 12/4885ROCK1 2362/4885RPS6KA1 48/4885

“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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