SCHEMBL1014847

SCHEMBL1014847

N#CCC(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.40
LIPA P38571 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL24410357 0.81 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL573401 0.79
SCHEMBL1011084 0.77
SCHEMBL1013569 0.76 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL3391018 0.76 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL1012319 0.75
SCHEMBL15156953 0.75
Trifluoroacetic Acid SCHEMBL2214877 0.73 MCL1 (0.39) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL1583542 0.71 MCL1 (0.40) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL23982819 0.71 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4406387-A1 AN ORGANIC ELECTRONIC DEVICE COMPRISING A SUBSTRATE, AN ANODE LAYER, A CATHODE LAYER, AT LEAST ONE FIRST EMISSION LAYER, AND A HOLE INJECTION LAYER, WHEREIN THE HOLE INJECTION LAYER COMPRISES A METAL COMPLEX OF FORMULA (I) AND A COMPOUND OF FORMULA (II), WHEREIN THE HOLE INJECTION LAYER IS ARRANGED BETWEEN THE ANODE LAYER AND THE AT LEAST ONE FIRST EMISSION LAYER Novaled GmbH (DE) 2024-07-31 EP disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
WO-2023041767-A1 AN ORGANIC ELECTRONIC DEVICE COMPRISING A SUBSTRATE, AN ANODE LAYER, A CATHODE LAYER, AT LEAST ONE FIRST EMISSION LAYER, AND A HOLE INJECTION LAYER, WHEREIN THE HOLE INJECTION LAYER COMPRISES A METAL COMPLEX OF FORMULA (I) AND A COMPOUND OF FORMULA (II), WHEREIN THE HOLE INJECTION LAYER IS ARRANGED BETWEEN THE ANODE LAYER AND THE AT LEAST ONE FIRST EMISSION LAYER NOVALED GMBH (DE) 2023-03-23 WO disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 US disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2021226261-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
EP-1943243-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 EP disclosed
WO-2007053346-A1 PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 WO disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 WO disclosed
EP-0375670-B1 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO (JP) 1997-08-06 EP disclosed
EP-0220947-B1 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO (JP) 1994-06-15 EP disclosed
EP-0375670-A2 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO., LTD. (JP) 1990-06-27 EP disclosed
US-4910326-A β-ketonitrils SHIONOGI & CO., LTD. (JP) 1990-03-20 US disclosed
EP-0304966-A2 Beta-ketonitriles SHIONOGI & CO., LTD. (JP) 1989-03-01 EP disclosed
US-4797492-A INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 1989-01-10 US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 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 (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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF MCL1 291/4885LIPA 3215/4885CYP1A2 4571/4885
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B MCL1 84/4885LIPA 4182/4885CYP1A2 3220/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MCL1 291/4885LIPA 3215/4885CYP1A2 4571/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B MCL1 84/4885LIPA 4182/4885CYP1A2 3220/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B MCL1 84/4885LIPA 4182/4885CYP1A2 3220/4885

“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.