SCHEMBL345169

SCHEMBL345169

Cn1cc(C(N)=O)c(C(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IRAK4 Q9NWZ3 9/20 0.37
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
ACACB O00763 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ATM Q13315 1/20 0.33
KLKB1 P03952 1/20 0.33
GAA P10253 2/20 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
Hydrochloric Acid SCHEMBL31096988 0.98 ADORA2A (0.36) ADORA2AADORA1IRAK4PARP1PARP2
Thiourea SCHEMBL28847920 0.95 GAA (0.36) ADORA2AADORA1IRAK4PARP1PARP2
Acetic Acid Methyl Ester SCHEMBL18335125 0.91 ATM (0.36) ADORA2AADORA1IRAK4PARP1PARP2
SCHEMBL7805449 0.89 ADORA2A (0.37) ADORA2AADORA1IRAK4PARP1PARP2
SCHEMBL30691883 0.88 IRAK4 (0.35) ADORA2AADORA1IRAK4ACACBCYP11B1
SCHEMBL1085956 0.86 ADORA2A (0.36) ADORA2AADORA1IRAK4PARP1PARP2
SCHEMBL20141 0.84 IRAK4 (0.35) IRAK4ACACBCYP11B1CYP11B2KLKB1
SCHEMBL14010542 0.84 LMNA (0.35) IRAK4ACACBCYP11B1CYP11B2KLKB1
SCHEMBL19321638 0.84 ADORA2A (0.38) ADORA2AADORA1PARP1PARP2PARP3
SCHEMBL22843773 0.83 IRAK4 (0.40) IRAK4ACACBKLKB1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166183-B Method for hydrogenating oxime derivatives 先正达农作物保护股份公司 2025-04-22 CN claimed
CN-119241438-A Fluoconazole fungus Process for the preparation of amides 浙江南郊化学有限公司 2025-01-03 CN claimed
CN-118307475-B Preparation method of stable isotope labeled fluxapyroxad internal standard reagent 谱同生物医药科技(常州)有限公司 2024-11-22 CN claimed
CN-116265457-B N-oxa condensed ring amide compound and preparation method and application thereof 湖南化工研究院有限公司 2024-09-03 CN claimed
CN-118307475-A Preparation method of stable isotope labeled fluxapyroxad internal standard reagent 谱同生物医药科技(常州)有限公司 2024-07-09 CN claimed
CN-118271285-A Azetidine-containing amide derivative, preparation method and application thereof 贵州大学 2024-07-02 CN claimed
EP-4384016-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2024-06-19 EP claimed
EP-4250926-A1 AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2023-10-04 EP claimed
CN-116801720-A Novel agrochemical compositions comprising 3-substituted benzamidine compounds and uses thereof 皮埃企业有限公司 2023-09-22 CN claimed
CN-116669554-A Use of Dhodh inhibitors for controlling resistant phytopathogenic fungi in crops 拜耳公司 2023-08-29 CN claimed
WO-2011069893-A1 PESTICIDAL MIXTURES BASF SE (DE) 2011-06-16 WO claimed
EP-2306832-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2011-04-13 EP claimed
EP-2242372-A2 PESTICIDAL MIXTURES BASF SE (DE) 2010-10-27 EP claimed
EP-2224811-A2 METHOD FOR REDUCING MYCOTOXIN CONTAMINATION IN MAIZE Bayer CropScience AG (DE) 2010-09-08 EP claimed
EP-2205082-A1 TERNARY FUNGICIDAL COMPOSITIONS COMPRISING BOSCALID AND CHLOROTHALONIL BASF SE (DE) 2010-07-14 EP claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
US-20090318291-A1 Fungicidal mixtures of 1-methylpyrazol-4-ylcarboxanilides and azolopyrimidinylamines BASF SE (DE) 2009-12-24 US claimed
WO-2009098230-A2 PESTICIDAL MIXTURES BASF SE (DE) 2009-08-13 WO claimed
WO-2009068195-A2 METHOD FOR REDUCING MYCOTOXIN CONTAMINATION IN MAIZE BAYER CROPSCIENCE AG (DE) 2009-06-04 WO claimed
WO-2009040397-A1 TERNARY FUNGICIDAL COMPOSITIONS COMPRISING BOSCALID AND CHLOROTHALONIL BASF SE (DE) 2009-04-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090318291-A1 Fungicidal mixtures of 1-methylpyrazol-4-ylcarboxanilides and azolopyrimidinylamines ERG28, AZI2, CYP51A1 ADORA2A 3636/4885ADORA1 2874/4885IRAK4 2180/4885

“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.