SCHEMBL16617460

SCHEMBL16617460

CC(C)N(CC(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
SCHEMBL4982283 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 18 patents. 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
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
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
EP-3068770-B1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-10-23 EP disclosed
US-10435378-B2 Processes for the preparation of pyrimidinylcyclopentane compounds GENENTECH, INC. (US) 2019-10-08 US disclosed
US-20180086722-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS GENENTECH, INC. (US) 2018-03-29 US disclosed
US-9862689-B2 Processes for the preparation of pyrimidinylcyclopentane compounds GENENTECH, INC. (US) 2018-01-09 US disclosed
US-20160297773-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS GENENTECH, INC. (US) 2016-10-13 US disclosed
EP-3068770-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-09-21 EP disclosed
US-9315471-B2 Process of making hydroxylated cyclopentapyrimidine compounds and salts thereof GENETECH, INC. (US) 2016-04-19 US disclosed
US-9290458-B2 Amorphous form of an AKT inhibiting pyrimidinyl-cyclopentane compound, compositions and methods thereof GENENTECH, INC. (US) 2016-03-22 US disclosed
WO-2015073739-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 WO disclosed
US-20150099880-A1 PROCESS OF MAKING HYDROXYLATED CYCLOPENTAPYRIMIDINE COMPOUNDS AND SALTS THEREOF GENETECH, INC. (US) 2015-04-09 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 (6 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-10858324-B2 Processes for the preparation of pyrimidinylcyclopentane compounds DHPS, TYMP, DHFR AKT1 3267/4885AKT2 3039/4885AKT3 3982/4885
US-20180086722-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS DHPS, TYMP, DHFR AKT1 3267/4885AKT2 3039/4885AKT3 3982/4885
US-10435378-B2 Processes for the preparation of pyrimidinylcyclopentane compounds DHPS, TYMP, DHFR AKT1 3267/4885AKT2 3039/4885AKT3 3982/4885
US-20150099880-A1 PROCESS OF MAKING HYDROXYLATED CYCLOPENTAPYRIMIDINE COMPOUNDS AND SALTS THEREOF PIK3CA, PIK3CD, PIK3CG AKT1 10/4885AKT2 6/4885AKT3 20/4885
US-20200062717-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS DHPS, TYMP, DHFR AKT1 3267/4885AKT2 3039/4885AKT3 3982/4885
US-20160297773-A1 PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS DHPS, TYMP, DHFR AKT1 3298/4885AKT2 3089/4885AKT3 4047/4885

“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.