SCHEMBL22308036

SCHEMBL22308036

C[C@@H]1CC(=O)Nc2ncnc(N3CC4CC3CN4C(=O)OC(C)(C)C)c21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT3 Q9Y243 16/20 0.61
▸ AKT1 P31749 15/20 0.61
▸ AKT2 P31751 12/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40

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
SCHEMBL22308425 0.83 AKT3 (0.62) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL31628449 0.80 AKT3 (0.61) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL22308404 0.77 AKT3 (0.56) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL24085581 0.77 AKT3 (0.56) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL22308039 0.76 AKT3 (1.00) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL30041028 0.76 GPR119 (0.46) PARP1GPR119HDAC1HSD11B1
SCHEMBL23932493 0.76 GPR119 (0.46) PARP1GPR119HDAC1HSD11B1
Hydrochloric Acid SCHEMBL30561592 0.76 AKT3 (0.54) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL1050800 0.73 JAK1 (0.52) PARP1GPR119HDAC1
SCHEMBL22308037 0.73 AKT3 (0.46) AKT3AKT1AKT2CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144821-A1 AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2022-05-12 — — US disclosed
EP-3919491-A1 AKT INHIBITOR Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2021-12-08 — — EP disclosed
WO-2021228223-A1 DEUTERATED AKT KINASE INHIBITOR 南京正大天晴制药有限公司 2021-11-18 — — WO disclosed
WO-2020156437-A1 AKT INHIBITOR 南京正大天晴制药有限公司 2020-08-06 — — WO 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-20220144821-A1 AKT INHIBITOR AKT2, AKT1, MTOR AKT3 4/4885AKT1 2/4885AKT2 1/4885

“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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