SCHEMBL22308037

SCHEMBL22308037

C[C@@H]1CC(=O)Nc2ncnc(N3CC4CC3CN4)c21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT3 Q9Y243 12/20 0.46
▸ AKT1 P31749 11/20 0.46
▸ AKT2 P31751 10/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39

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
SCHEMBL22308093 0.75 AKT1 (0.49) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL31594759 0.75 AKT1 (0.49) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL31622286 0.74 AKT1 (0.47) AKT3AKT1AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL25195685 0.74 AKT1 (0.48) AKT3AKT1AKT2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL30460118 0.74 AKT1 (0.48) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL22308036 0.73 AKT3 (0.61) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL25403174 0.73 AKT3 (0.64) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL25403166 0.73 AKT3 (0.64) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL22307580 0.71 AKT1 (0.50) AKT3AKT1AKT2CYP3A4CYP1A2
SCHEMBL22308403 0.71 AKT1 (0.50) 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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