SCHEMBL22093072

SCHEMBL22093072

Nc1ccnc(OC(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
BACE1 P56817 2/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
UTRN P46939 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33

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
SCHEMBL30017239 1.00 ROCK1 (0.37) ROCK1ASIC3HCRTR1HCRTR2BACE1
SCHEMBL469901 0.82 GABRP (0.39) ASIC3LOXLOXL2NOS3NOS1
SCHEMBL16642357 0.80 UHRF1 (0.45) HCRTR1HCRTR2BACE1LOXLOXL2
SCHEMBL30992022 0.80 UHRF1 (0.45) HCRTR1HCRTR2BACE1LOXLOXL2
SCHEMBL5323718 0.78 LOX (0.38) ASIC3BACE1LOXLOXL2NOS3
SCHEMBL29072675 0.78 HCRTR1 (0.34) ROCK1HCRTR1HCRTR2BACE1LOX
SCHEMBL30117106 0.78 HCRTR1 (0.34) ROCK1HCRTR1HCRTR2BACE1LOX
SCHEMBL27958617 0.78 GRM4 (0.39) ROCK1HCRTR1HCRTR2UTRNKDM4E
SCHEMBL20606987 0.77 ACACB (0.38) ASIC3LOXLOXL2PDE4DACACB
SCHEMBL19773753 0.77 NR1H2 (0.35) HCRTR1HCRTR2UTRNNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2025-12-23 US disclosed
US-20250313549-A1 HERBICIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-10-09 US disclosed
US-12384773-B2 Thiazole compounds and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2025-08-12 US disclosed
US-20250145606-A1 THIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2025-05-08 US disclosed
WO-2025096979-A1 THIAZOLE COMPOUNDS AS KIT INHIBITORS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2025-05-08 WO disclosed
EP-4433467-A1 HERBICIDAL DERIVATIVES Syngenta Crop Protection AG (CH) 2024-09-25 EP disclosed
CN-118265705-A Herbicidal derivatives 先正达农作物保护股份公司 2024-06-28 CN disclosed
WO-2023088921-A1 HERBICIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-05-25 WO disclosed
WO-2023088921-A1 HERBICIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-05-25 WO disclosed
US-20220411406-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2022-12-29 US disclosed
CN-113264945-B Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
US-20220106276-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-04-07 US disclosed
EP-3894396-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS Ideaya Biosciences, Inc. (US) 2021-10-20 EP disclosed
US-11130759-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCE, INC. (US) 2021-09-28 US disclosed
CN-113264945-A Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-08-17 CN disclosed
US-11084798-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2021-08-10 US disclosed
CN-113166078-A 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2021-07-23 CN disclosed
US-11046691-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2021-06-29 US disclosed
WO-2020123395-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-06-18 WO disclosed
CN-103763923-A 3-alkoxy-4-amino-6- (substituted) picolinates, 3-thioalkyl-4-amino-6- (substituted) picolinates, and 3-amino-4-amino-6- (substituted) picolinates and their use as herbicides DOW AGRO SCIENCES LLC 2014-04-30 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 (9 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-11046691-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A ROCK1 2870/4885ASIC3 4740/4885HCRTR1 4531/4885
US-12384773-B2 Thiazole compounds and methods of use thereof TPMT, CYP11B2, ABAT ROCK1 3622/4885ASIC3 3409/4885HCRTR1 2543/4885
US-20220411406-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 ROCK1 311/4885ASIC3 2855/4885HCRTR1 659/4885
US-11130759-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A ROCK1 2870/4885ASIC3 4740/4885HCRTR1 4531/4885
US-20250145606-A1 THIAZOLE COMPOUNDS AND METHODS OF USE THEREOF TPMT, CYP11B2, ABAT ROCK1 3622/4885ASIC3 3409/4885HCRTR1 2543/4885
US-11084798-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A ROCK1 2870/4885ASIC3 4740/4885HCRTR1 4531/4885
US-20250313549-A1 HERBICIDAL DERIVATIVES DDT, CYP1B1, CYP1A1 ROCK1 3360/4885ASIC3 2557/4885HCRTR1 577/4885
US-20220106276-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS MAT2B, MAT2A, MAT1A ROCK1 2870/4885ASIC3 4740/4885HCRTR1 4531/4885
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A ROCK1 2870/4885ASIC3 4740/4885HCRTR1 4531/4885

“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.