SCHEMBL22308404

SCHEMBL22308404

CC1CC(=O)Nc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 14/20 0.56
AKT1 P31749 14/20 0.56
AKT2 P31751 9/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
KIT P10721 2/20 0.48
PRKCB P05771 2/20 0.45
RPS6KB1 P23443 2/20 0.45
RPS6KA1 Q15418 2/20 0.45
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44

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
SCHEMBL24085581 1.00 AKT3 (0.56) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL22308123 0.88 AKT3 (0.59) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL31628449 0.86 AKT3 (0.61) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL2798957 0.86 KIT (0.50) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL22288501 0.85 AKT1 (0.58) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL28615754 0.83 AKT3 (0.56) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL22308109 0.82 AKT3 (0.57) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL29208220 0.82 AKT3 (0.57) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL192015 0.81 KIT (0.48) KIT
SCHEMBL192014 0.81 KIT (0.48) KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
CN-113272304-A AKT inhibitors 南京正大天晴制药有限公司 2021-08-17 CN 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.