SCHEMBL3487859

SCHEMBL3487859

FC(F)(F)c1nccc(Br)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.46
IDH1 O75874 5/20 0.38
IDH2 P48735 4/20 0.38
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CYP17A1 P05093 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
SCHEMBL803797 0.77 ADORA2A (0.34)
SCHEMBL3295825 0.74 MALT1 (0.47) MALT1IDH1IDH2TAS2R14
SCHEMBL21328933 0.74 MALT1 (0.52) MALT1IDH1IDH2NOS3NOS2
SCHEMBL29757680 0.73 MALT1 (0.46) MALT1IDH1IDH2NOS3NOS2
SCHEMBL19337822 0.73 MALT1 (0.46) MALT1IDH1IDH2NOS3NOS2
SCHEMBL19063 0.73 MALT1 (0.46) MALT1IDH1IDH2NOS3NOS2
SCHEMBL19582176 0.73 MALT1 (0.50) MALT1IDH1IDH2NOS3NOS2
SCHEMBL1420222 0.73 NOS3 (0.47) MALT1IDH1IDH2NOS3NOS2
SCHEMBL18428 0.73 MALT1 (0.46) MALT1IDH1IDH2NOS3NOS2
SCHEMBL2632680 0.73 MALT1 (0.46) MALT1IDH1IDH2NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731623-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC Therapeutics, Inc. (US) 2026-04-29 EP disclosed
EP-3558298-B1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME LLC (US) 2026-03-11 EP disclosed
EP-4598923-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS The Regents of the University of California (US) 2025-08-13 EP disclosed
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP disclosed
US-20250230172-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-07-17 US disclosed
EP-4061813-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-06-04 EP disclosed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 US disclosed
EP-4511127-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-02-26 EP disclosed
WO-2025006078-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed
US-20240398781-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION CONVELO THERAPEUTICS, INC. 2024-12-05 US disclosed
EP-2121661-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-25 EP disclosed
EP-2112880-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-04 EP disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 WO disclosed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 WO disclosed
CN-1135227-C 2,6-twice substituted pyridine and 2,4-twice substituted pyrimidine for berbicide 2004-01-21 CN disclosed
CN-1117748-C Herbicidal 2, 6 -disubstituted pyridines and 2, 4 -disubstituted pyrimidines AMERICAN CYANAMID CO (US) 2003-08-13 CN disclosed
CN-1175578-A Herbicidal 2, 6 -disubstituted pyridines and 2, 4 -disubstituted pyrimidines AMERICAN CYANAMID CO (US) 1998-03-11 CN disclosed
CN-1143078-A 2,6-twice substituted pyridine and 2,4-twice substituted pyrimidine for berbicide AMERICAN CYANAMID CO (US) 1997-02-19 CN 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 (3 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-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT MALT1 87/4885IDH1 34/4885IDH2 25/4885
US-20240398781-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, PMP22, NR1H2 MALT1 1489/4885IDH1 1994/4885IDH2 909/4885
US-20250230172-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 MALT1 3795/4885IDH1 1480/4885IDH2 1344/4885

“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.