SCHEMBL479056

SCHEMBL479056

CC(C)(C)OC(=O)Nc1ccc(C=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ MAPKAPK2 P49137 3/20 0.40
▸ MIF P14174 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38

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
SCHEMBL31737264 0.89 GSK3B (0.45) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL28849745 0.87 NAMPT (0.42) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL28579578 0.86 HDAC1 (0.41) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL29636747 0.86 HDAC1 (0.41) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL21375791 0.86 HDAC1 (0.41) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL19398230 0.85 RAB9A (0.45) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL12143915 0.83 HDAC1 (0.40) NAMPTGSK3BDYRK1AGRIN2BHDAC1
SCHEMBL23535792 0.81 GSK3B (0.54) GSK3BDYRK1A
SCHEMBL30159630 0.81 GSK3B (0.54) GSK3BDYRK1A
Ethoxycarbonyl Group SCHEMBL31274185 0.81 NAMPT (0.38) NAMPTGSK3BDYRK1AGRIN2BHDAC1

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
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 — — EP claimed
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 — — WO disclosed
EP-4419525-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 — — EP disclosed
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-11932624-B2 MDM2 degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2024-03-19 — — US disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 — — US disclosed
EP-1180099-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 — — EP disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 — — EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 — — WO disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 — — EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 — — WO disclosed
WO-2000066550-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 — — WO disclosed
CN-1222909-A Pyrazinone thrombin inhibitors MERCK & CO INC (US) 1999-07-14 — — CN disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 — — EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 — — 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-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 NAMPT 2851/4885GSK3B 668/4885DYRK1A 485/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NAMPT 1266/4885GSK3B 1705/4885DYRK1A 2298/4885
US-11932624-B2 MDM2 degraders and uses thereof MDM2, TP53, MDM4 NAMPT 2851/4885GSK3B 668/4885DYRK1A 485/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL NAMPT 828/4885GSK3B 2219/4885DYRK1A 3991/4885

“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.

Send feedback