SCHEMBL1317022

SCHEMBL1317022

CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 1.00
AURKB Q96GD4 19/20 1.00
AURKA O14965 12/20 1.00
ROCK1 Q13464 9/20 1.00
PIK3CG P48736 1/20 1.00
PDK1 Q15118 1/20 1.00
TGFBR1 P36897 2/20 0.63

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
SCHEMBL29410282 1.00 PDPK1 (1.00) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1317861 0.92 PDPK1 (0.86) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1320418 0.91 PDPK1 (1.00) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1319624 0.91 PDPK1 (0.98) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318073 0.90 PDPK1 (0.82) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318075 0.90 PDPK1 (0.82) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1318076 0.90 PDPK1 (0.82) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1316758 0.89 PDPK1 (0.81) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1316760 0.89 PDPK1 (0.81) PDPK1AURKBAURKAROCK1PIK3CG
SCHEMBL1316761 0.89 PDPK1 (0.81) PDPK1AURKBAURKAROCK1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202190-A Isoquinoline derivatives as protein degrading agents, E7 degrading agents, antiviral agents, tumor therapeutic agents and immunosuppressants RDP制药股份公司 2025-06-24 CN claimed
EP-4548977-A2 NOVEL ISOQUINOLINES AS PROTEIN DEGRADERS, E7 DEGRADERS, ANTIVIRALS, TUMOR THERAPEUTICS AND IMMUNE SUPPRESSIVES RDP Pharma AG (CH) 2025-05-07 EP claimed
WO-2025080080-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PARKINSON'S DISEASE, CONTAINING PDK INHIBITOR AS ACTIVE INGREDIENT 한양대학교 산학협력단 2025-04-17 WO claimed
US-20250011425-A1 COMPOSITIONS AND METHODS FOR IMPROVED T CELLS UNIV TEMPLE (US) 2025-01-09 US claimed
US-20240382484-A1 COMPOSITION FOR TREATING, PREVENTING, OR AMELIORATING MELANOMA AND METHOD THEREOF THOMAS JEFFERSON UNIVERSITY 2024-11-21 US claimed
US-12024715-B2 Compositions and methods for improved T cells TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-07-02 US claimed
US-20220235330-A1 METHODS FOR CREATING INTEGRATION-FREE, VIRUS-FREE, EXOGENOUS ONCOGENE-FREE IPS CELLS AND COMPOSITIONS FOR USE IN SUCH METHODS Cellular Engineering Technologies, Inc. (US) 2022-07-28 US claimed
US-20190316095-A1 METHODS FOR CREATING INTEGRATION-FREE, VIRUS-FREE, EXOGENOUS ONCOGENE-FREE IPS CELLS AND COMPOSITIONS FOR USE IN SUCH METHODS Cellular Engineering Technologies, Inc. (US) 2019-10-17 US claimed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP claimed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US claimed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US claimed
US-12637720-B2 Molecular subtyping of small cell lung cancer to predict therapeutic responses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-05-26 US disclosed
US-20250368634-A1 PHENYL AMIDE COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2025-12-04 US disclosed
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
WO-2025235872-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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 (4 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 PDPK1 12/4885AURKB 262/4885AURKA 298/4885
US-20250368634-A1 PHENYL AMIDE COMPOUNDS AND METHODS OF USE AADAC, DBI, ASNS PDPK1 1654/4885AURKB 826/4885AURKA 1036/4885
US-20240382484-A1 COMPOSITION FOR TREATING, PREVENTING, OR AMELIORATING MELANOMA AND METHOD THEREOF PDPK1, PLK3, PLK2 PDPK1 1/4885AURKB 306/4885AURKA 162/4885
US-12637720-B2 Molecular subtyping of small cell lung cancer to predict therapeutic responses POU2F1, POU2F2, PARP2 PDPK1 200/4885AURKB 107/4885AURKA 118/4885

“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.