SCHEMBL566140

SCHEMBL566140

O=C(NC(F)F)c1cn[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
MME P08473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ROCK2 O75116 13/20 0.39
ROCK1 Q13464 11/20 0.39
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL659350 0.82 ACACB (0.50) ACACBMMEROCK2ROCK1
SCHEMBL22618859 0.78 ACACB (0.47) ACACBMMEROCK2ROCK1
SCHEMBL28210633 0.78 ACACB (0.45) ACACBMMEROCK2ROCK1
SCHEMBL34468847 0.75 ACACB (0.52) ACACBMMEROCK2ROCK1
SCHEMBL30759740 0.74 CA2 (0.50) ACACBMMEROCK2ROCK1
SCHEMBL3633530 0.74
SCHEMBL872179 0.74
SCHEMBL4876707 0.74
SCHEMBL28350299 0.74
SCHEMBL1085922 0.73 ALDH1A1 (0.41) ACACBMMEALDH1A1HTTPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-04-24 US disclosed
WO-2024140356-A1 CATHEPSIN L INHIBITORS BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2024-07-04 WO disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed
EP-2925134-A1 TERNARY FUNGICIDAL MIXTURES Bayer CropScience AG (DE) 2015-10-07 EP disclosed
WO-2014082950-A1 TERNARY FUNGICIDAL MIXTURES BAYER CROPSCIENCE AG (DE) 2014-06-05 WO disclosed
US-20120035165-A1 Use of fungicidal compound compositions for controlling certain rust fungi BAYER CROPSCIENCE AG (DE) 2012-02-09 US disclosed
US-20090239748-A1 Fungicidal Mixtures Based on 2,5-Disubstituted N-Biphenylpyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-09-24 US disclosed
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 US disclosed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
US-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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 (6 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-20090042725-A1 Fungicidal Mixtures Based on 3,5-Disubstituted N-Biphenyl-Pyrazolcarboxamides CBR3, CBR1, STS ACACB 1978/4885MME 1696/4885ALDH1A1 433/4885
US-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ACACB 4474/4885MME 2850/4885ALDH1A1 1828/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 ACACB 3079/4885MME 1183/4885ALDH1A1 1177/4885
US-20090239748-A1 Fungicidal Mixtures Based on 2,5-Disubstituted N-Biphenylpyrazolcarboxamides CBR3, CBR1, SNU13 ACACB 3161/4885MME 1383/4885ALDH1A1 1559/4885
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides CBR3, CBR1, CYCS ACACB 3323/4885MME 2456/4885ALDH1A1 2391/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ACACB 4474/4885MME 2850/4885ALDH1A1 1828/4885

“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.