SCHEMBL1585745

SCHEMBL1585745

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2ccc(-c3ccc([N+](=O)[O-])s3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.58
MAP4K4 O95819 1/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
LMNA P02545 5/20 0.38
CLK4 Q9HAZ1 5/20 0.38
CYP2C9 P11712 1/20 0.38
PGR P06401 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1D1 P20393 8/20 0.35
CYP2A6 P11509 1/20 0.35
AR P10275 1/20 0.35
MAPK1 P28482 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL1586023 0.84 PDPK1 (0.62) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL11903641 0.76 PDPK1 (0.65) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL11903637 0.74 PDPK1 (0.86) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL11922242 0.74 PDPK1 (1.00) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL1584949 0.73 PDPK1 (0.71) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL1584948 0.73 PDPK1 (0.63) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL28049195 0.71 PDPK1 (0.50) PDPK1MAP4K4CYP1A2LMNAALDH1A1
SCHEMBL25258310 0.68 HCAR3 (0.34) PDPK1LMNAPGRALDH1A1MAPT
SCHEMBL1585511 0.67 PDPK1 (0.48) PDPK1MAP4K4CYP1A2CYP3A4LMNA
SCHEMBL832643 0.66 PDPK1 (0.46) PDPK1MAP4K4CYP1A2CYP3A4LMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-09-05 US disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
US-20230113598-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. 2023-04-13 US disclosed
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 US disclosed
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 US disclosed
EP-3466929-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2019-04-10 EP disclosed
EP-3070077-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2018-11-28 EP disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
EP-3070077-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2016-09-21 EP disclosed
EP-2485731-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2016-05-11 EP disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
EP-2485731-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2012-08-15 EP disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 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 (7 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885
US-20230113598-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PDPK1 5/4885MAP4K4 147/4885CYP1A2 4539/4885

“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.