SCHEMBL675469

SCHEMBL675469

C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)C(CN)c4ccc(Cl)cc4)CC3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00
AKT2 P31751 20/20 1.00
AKT3 Q9Y243 20/20 1.00
PIK3CA P42336 1/20 0.78
PRKG1 Q13976 1/20 0.78

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
SCHEMBL675468 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL18797669 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17424823 1.00 AKT1 (1.00) AKT1AKT2AKT3PIK3CAPRKG1
Hydrochloric Acid SCHEMBL192532 0.99 AKT1 (0.98) AKT1AKT2AKT3PIK3CAPRKG1
Hydrochloric Acid SCHEMBL192533 0.99 AKT1 (0.98) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL22149954 0.93 AKT1 (0.86) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL17424851 0.91 AKT1 (0.83) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192686 0.91 AKT1 (0.83) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192927 0.91 AKT1 (0.83) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192687 0.91 AKT1 (0.83) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US claimed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US claimed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US claimed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US claimed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US claimed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US claimed
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 EP claimed
US-20250161322-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN ATP COMPETITIVE AKT INHIBITOR, A CDK4/6 INHIBITOR, AND FULVESTRANT GENENTECH INC (US) 2025-05-22 US disclosed
US-12083129-B2 Treatment of breast cancer using combination therapies comprising an ATP competitive AKT inhibitor, a CDK4/6 inhibitor, and fulvestrant GENENTECH, INC. (US) 2024-09-10 US disclosed
EP-4294393-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING GDC-9545 AND IPATASERTIB Genentech, Inc. (US) 2023-12-27 EP disclosed
US-20230330106-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN ATP COMPETITIVE AKT INHIBITOR, A CDK4/6 INHIBITOR, AND FULVESTRANT GENENTECH INC (US) 2023-10-19 US disclosed
US-11701356-B2 Treatment of breast cancer using combination therapies comprising an AKT inhibitor, a taxane, and a PD-L1 inhibitor GENENTECH, INC. (US) 2023-07-18 US disclosed
US-11576919-B2 Treatment of breast cancer using combination therapies comprising an ATP competitive AKT inhibitor, a CDK4/6 inhibitor, and fulvestrant GENENTECH, INC. (US) 2023-02-14 US disclosed
US-20210046086-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN ATP COMPETITIVE AKT INHIBITOR, A CDK4/6 INHIBITOR, AND FULVESTRANT GENENTECH, INC. (US) 2021-02-18 US disclosed
WO-2020210337-A1 DEGRADATION OF AKT BY CONJUGATION OF ATP-COMPETITIVE AKT INHIBITOR GDC-0068 WITH E3 LIGASE LIGANDS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-15 WO disclosed
US-20200197396-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN AKT INHIBITOR, A TAXANE, AND A PD-L1 INHIBITOR GENENTECH, INC. (US) 2020-06-25 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
EP-2694485-B1 COMBINATION OF AKT INHIBITOR COMPOUND AND VEMURAFENIB FOR USE IN THERAPEUTIC TREATMENTS GENENTECH INC (US) 2017-11-15 EP 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 (13 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885AKT3 791/4885
US-20200197396-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN AKT INHIBITOR, A TAXANE, AND A PD-L1 INHIBITOR PDCD1LG2, PDCD1, PDCD10 AKT1 28/4885AKT2 11/4885AKT3 13/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885AKT3 791/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885AKT3 791/4885
US-20210046086-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN ATP COMPETITIVE AKT INHIBITOR, A CDK4/6 INHIBITOR, AND FULVESTRANT CDK4, CDK6, PIK3CA AKT1 98/4885AKT2 88/4885AKT3 99/4885
US-12083129-B2 Treatment of breast cancer using combination therapies comprising an ATP competitive AKT inhibitor, a CDK4/6 inhibitor, and fulvestrant CDK4, CDK6, PIK3CA AKT1 98/4885AKT2 88/4885AKT3 99/4885
US-11576919-B2 Treatment of breast cancer using combination therapies comprising an ATP competitive AKT inhibitor, a CDK4/6 inhibitor, and fulvestrant CDK4, CDK6, PIK3CA AKT1 98/4885AKT2 88/4885AKT3 99/4885
US-20230330106-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN ATP COMPETITIVE AKT INHIBITOR, A CDK4/6 INHIBITOR, AND FULVESTRANT CDK4, CDK6, PIK3CA AKT1 98/4885AKT2 88/4885AKT3 99/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-11701356-B2 Treatment of breast cancer using combination therapies comprising an AKT inhibitor, a taxane, and a PD-L1 inhibitor PDCD1LG2, PDCD1, PDCD10 AKT1 28/4885AKT2 11/4885AKT3 13/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20250161322-A1 TREATMENT OF BREAST CANCER USING COMBINATION THERAPIES COMPRISING AN ATP COMPETITIVE AKT INHIBITOR, A CDK4/6 INHIBITOR, AND FULVESTRANT CDK4, CDK6, PIK3CA AKT1 98/4885AKT2 88/4885AKT3 99/4885
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.