SCHEMBL22308093

SCHEMBL22308093

C[C@@H]1CC(=O)Nc2ncnc(N3CCNC4CC43)c21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 18/20 0.49
▸ AKT3 Q9Y243 17/20 0.49
▸ AKT2 P31751 13/20 0.49
▸ CYP3A4 P08684 6/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PRKCB P05771 3/20 0.41
▸ RPS6KB1 P23443 3/20 0.41
▸ RPS6KA1 Q15418 3/20 0.41

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
SCHEMBL31594759 1.00 AKT1 (0.49) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30460118 0.99 AKT1 (0.48) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL25195685 0.99 AKT1 (0.48) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30561592 0.84 AKT3 (0.54) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL24410861 0.81 AKT1 (0.47) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL24410854 0.81 AKT1 (0.47) AKT1AKT3AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30021385 0.80 AKT1 (0.46) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL26544134 0.80 AKT1 (0.57) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL31622286 0.79 AKT1 (0.47) AKT1AKT3AKT2CYP3A4CYP1A2
SCHEMBL25403174 0.77 AKT3 (0.64) AKT1AKT3AKT2CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119302960-A Unit dose compositions of AKT inhibitors 南京正大天晴制药有限公司 2025-01-14 — — CN disclosed
CN-115916350-B Unit dose compositions of AKT inhibitors 南京正大天晴制药有限公司 2024-11-05 — — CN disclosed
CN-115485276-B Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2024-05-31 — — CN disclosed
CN-117964620-A AKT inhibitors 南京正大天晴制药有限公司 2024-05-03 — — CN disclosed
CN-113272304-B AKT inhibitors 南京正大天晴制药有限公司 2024-03-29 — — CN disclosed
US-20230321108-A1 UNIT DOSAGE COMPOSITION OF AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-10-12 — — US disclosed
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-09-14 — — US disclosed
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 — — US disclosed
CN-115916350-A Unit dose compositions of AKT inhibitors 南京正大天晴制药有限公司 2023-04-04 — — CN disclosed
CN-115485276-A Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2022-12-16 — — CN disclosed
US-20220144821-A1 AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2022-05-12 — — US 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 (4 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-20230321108-A1 UNIT DOSAGE COMPOSITION OF AKT INHIBITOR AKT2, AKT1, PIK3R2 AKT1 2/4885AKT3 4/4885AKT2 1/4885
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FH, GRHPR, SDHB AKT1 4397/4885AKT3 4226/4885AKT2 4480/4885
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE DCK, DPYD, UCK2 AKT1 2193/4885AKT3 1936/4885AKT2 2382/4885
US-20220144821-A1 AKT INHIBITOR AKT2, AKT1, MTOR AKT1 2/4885AKT3 4/4885AKT2 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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