SCHEMBL59215

SCHEMBL59215

O=C=Nc1cccc(C(F)(F)F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MPL P40238 3/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
EPHX2 P34913 3/20 0.33
HCAR1 Q9BXC0 1/20 0.33
NOTUM Q6P988 1/20 0.33
KAT6A Q92794 1/20 0.33
PARP1 P09874 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CTSS P25774 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL29648824 1.00 CYP3A4 (0.47) CYP3A4MPLIDO1TDO2EPHX2
SCHEMBL9506403 0.83 PDE2A (0.36) CYP3A4
SCHEMBL75112 0.82 CYP3A4 (0.47) CYP3A4IDO1TDO2GRIN2DGRIN3B
SCHEMBL29648814 0.82 CYP3A4 (0.47) CYP3A4IDO1TDO2GRIN2DGRIN3B
SCHEMBL28210896 0.82 CYP3A4 (0.60) CYP3A4GABRA1GABRB2
SCHEMBL1513863 0.81 CYP3A4 (0.47) CYP3A4NOTUMPARP1GABRA1GABRB2
SCHEMBL4242346 0.81 CYP3A4 (0.47) CYP3A4PARP1GABRA1GABRB2GRIN2D
SCHEMBL29717622 0.81 ALDH1A1 (0.43) CYP3A4MPLIDO1TDO2NOTUM
SCHEMBL3290334 0.81 ALDH1A1 (0.43) CYP3A4MPLIDO1TDO2NOTUM
SCHEMBL3460968 0.80 CYP3A4 (0.66) CYP3A4NOTUMPARP1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 WO claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
WO-2025083280-A1 SORAFENIB ANALOGS FOR USE IN THE TREATMENT OF CANCER UNIVERSITAT DE BARCELONA (ES) 2025-04-24 WO disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
US-11949072-B2 Silicon-based energy storage devices with electrolyte containing cyanate based compounds ENEVATE CORPORATION (US) 2024-04-02 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA S.R.L. (IT) 2005-01-27 US disclosed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN disclosed
CN-1538960-A Amino-2, 3-naphthyridinone derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-10-20 CN disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 WO disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 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 (5 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 CYP3A4 4111/4885MPL 2343/4885IDO1 855/4885
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885MPL 4332/4885IDO1 1714/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885MPL 4332/4885IDO1 1714/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 CYP3A4 3764/4885MPL 2133/4885IDO1 806/4885
US-11949072-B2 Silicon-based energy storage devices with electrolyte containing cyanate based compounds SIRT3, SLC6A12, HCN2 CYP3A4 4039/4885MPL 4332/4885IDO1 1714/4885

“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.