Ipatasertib

Ipatasertib

SCHEMBL15390324

CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AKT1AKT2AKT3

The experimentally established mechanism targets of Ipatasertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT3 known ✓ Q9Y243 20/20 0.98
AKT1 known ✓ P31749 19/20 0.98
AKT2 known ✓ P31751 19/20 0.98
PIK3CA P42336 1/20 0.98
PRKG1 Q13976 1/20 0.98

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
Ipatasertib SCHEMBL21900357 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL29393010 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL192342 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL29409453 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL191805 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL15390761 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL1740213 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL21900358 1.00 AKT3 (0.98) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL19867534 0.99 AKT3 (1.00) AKT3AKT1AKT2PIK3CAPRKG1
Ipatasertib SCHEMBL191492 0.99 AKT3 (1.00) AKT3AKT1AKT2PIK3CAPRKG1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858989-B9 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH INC (US) 2021-04-14 EP claimed
EP-3719014-A1 SOLID FORMS OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF Genentech, Inc. (US) 2020-10-07 EP claimed
EP-2858989-B1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH INC (US) 2020-05-06 EP claimed
US-9505725-B2 Crystalline and mesomorphous forms of an AKT inhibiting pyrimidinyl-cyclopentane compound, compositions and methods thereof GENENTECH, INC. (US) 2016-11-29 US claimed
US-20160152575-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH, INC. (US) 2016-06-02 US claimed
US-9290458-B2 Amorphous form of an AKT inhibiting pyrimidinyl-cyclopentane compound, compositions and methods thereof GENENTECH, INC. (US) 2016-03-22 US claimed
US-20150274677-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH, INC. 2015-10-01 US claimed
EP-2858989-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL - CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF Genentech, Inc. (US) 2015-04-15 EP claimed
WO-2013173811-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL - CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH, INC. (US) 2013-11-21 WO claimed
CN-112898210-B Process for preparing pyrimidinylcyclopentane compounds 豪夫迈·罗氏有限公司 2025-02-21 CN disclosed
EP-4282973-A2 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-11-29 EP disclosed
EP-3656764-B1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed
CN-110590606-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2023-02-17 CN disclosed
CN-105899492-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed
EP-2858989-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL - CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF Genentech, Inc. (US) 2015-04-15 EP disclosed
EP-2858989-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL - CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF Genentech, Inc. (US) 2015-04-15 EP disclosed
US-20150099880-A1 PROCESS OF MAKING HYDROXYLATED CYCLOPENTAPYRIMIDINE COMPOUNDS AND SALTS THEREOF GENETECH, INC. (US) 2015-04-09 US disclosed
CN-104470912-A Amorphous form of an AKT inhibiting pyrimidinyl-cyclopentane compound, compositions and methods thereof GENENTECH INC 2015-03-25 CN disclosed
WO-2013173811-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL - CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH, INC. (US) 2013-11-21 WO disclosed
WO-2013173811-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL - CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH, INC. (US) 2013-11-21 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 (3 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-20150274677-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF PIK3CA, PIK3CD, AKT1S1 AKT3 7/4885AKT1 5/4885AKT2 4/4885
US-20150099880-A1 PROCESS OF MAKING HYDROXYLATED CYCLOPENTAPYRIMIDINE COMPOUNDS AND SALTS THEREOF PIK3CA, PIK3CD, PIK3CG AKT3 20/4885AKT1 10/4885AKT2 6/4885
US-20160152575-A1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF PIK3CA, PIK3CD, AKT1S1 AKT3 7/4885AKT1 5/4885AKT2 4/4885

“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.