SCHEMBL4982283

SCHEMBL4982283

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

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.82
AKT2 P31751 20/20 0.82
AKT3 Q9Y243 20/20 0.82
PIK3CA P42336 1/20 0.72
PRKG1 Q13976 1/20 0.72

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
SCHEMBL15390637 1.00 AKT1 (0.82) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3948393 1.00 AKT1 (0.82) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16617460 1.00 AKT1 (0.82) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17424856 0.90 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191650 0.90 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193125 0.90 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191301 0.89 AKT1 (0.75) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192866 0.89 AKT1 (0.75) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191789 0.89 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191788 0.89 AKT1 (0.85) AKT1AKT2AKT3PIK3CAPRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20220226326-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-07-21 US disclosed
EP-2858989-B9 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH INC (US) 2021-04-14 EP disclosed
US-10858324-B2 Processes for the preparation of pyrimidinylcyclopentane compounds GENENTECH, INC. (US) 2020-12-08 US disclosed
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
EP-3719014-A1 SOLID FORMS OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF Genentech, Inc. (US) 2020-10-07 EP disclosed
EP-3656764-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-05-27 EP disclosed
EP-2858989-B1 AMORPHOUS FORM OF AN AKT INHIBITING PYRIMIDINYL-CYCLOPENTANE COMPOUND, COMPOSITIONS AND METHODS THEREOF GENENTECH INC (US) 2020-05-06 EP disclosed
US-20200062717-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 US disclosed
US-20150064171-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAEPTUC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-20140256691-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ABIRATERONE, AND METHODS OF USE GENENTECH, INC. (US) 2014-09-11 US disclosed
US-20140221386-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE GENENTECH, INC. (US) 2014-08-07 US disclosed
US-20140155372-A1 COMBINATIONS OF AKT AND MEK INHIBITOR COMPOUNDS, AND METHODS OF USE GENENTECH, INC. (US) 2014-06-05 US disclosed
EP-2694485-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND VEMURAFENIB, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
WO-2012135750-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND VEMURAFENIB, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US 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 (11 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-20140256691-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ABIRATERONE, AND METHODS OF USE AKT2, CYP17A1, AKT1 AKT1 3/4885AKT2 1/4885AKT3 6/4885
US-10858324-B2 Processes for the preparation of pyrimidinylcyclopentane compounds DHPS, TYMP, DHFR AKT1 3267/4885AKT2 3039/4885AKT3 3982/4885
US-20150064171-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAEPTUC AGENTS, AND METHODS OF USE AKT1, AKT2, PIK3CA AKT1 1/4885AKT2 2/4885AKT3 5/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20220226326-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20140155372-A1 COMBINATIONS OF AKT AND MEK INHIBITOR COMPOUNDS, AND METHODS OF USE PDPK1, MAPK1, MAPK9 AKT1 18/4885AKT2 15/4885AKT3 10/4885
US-20200062717-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS DHPS, TYMP, DHFR AKT1 3267/4885AKT2 3039/4885AKT3 3982/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20140221386-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ERLOTINIB, AND METHODS OF USE AKT1, AKT2, MTOR AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 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.