SCHEMBL21799374

SCHEMBL21799374

NC(=S)c1nn(-c2cccnc2)cc1OC(F)(F)C(F)OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
IRAK4 Q9NWZ3 4/20 0.33
CYP2A6 P11509 1/20 0.33
DGAT1 O75907 1/20 0.32
MAT2A P31153 1/20 0.30

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
SCHEMBL21799423 0.91 SCN9A (0.41) SCN9AIRAK4CYP2A6DGAT1MAT2A
SCHEMBL21799421 0.81 DGAT1 (0.37) IRAK4DGAT1
SCHEMBL21799382 0.80 CYP2A6 (0.33) CYP2A6DGAT1MAT2A
SCHEMBL29050890 0.78 IRAK4 (0.41) SCN9AIRAK4CYP2A6DGAT1
SCHEMBL21799369 0.72 SCN9A (0.39) SCN9A
SCHEMBL29050891 0.70 NPC1 (0.46) DGAT1
SCHEMBL21799410 0.66 IRAK4 (0.43) SCN9AIRAK4DGAT1
SCHEMBL23234420 0.64 HTT (0.38) IRAK4CYP2A6
SCHEMBL30754177 0.64 HTT (0.38) IRAK4CYP2A6
SCHEMBL21799422 0.62 IRAK4 (0.50) IRAK4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
EP-3623365-B1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-04 EP disclosed
US-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-25 US disclosed
EP-3623365-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2020-03-18 EP disclosed
CN-110612295-A Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2019-12-24 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 (2 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-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT H1-3, HDAC3, H1-0 SCN9A 1717/4885IRAK4 3682/4885CYP2A6 703/4885
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent H1-3, HDAC3, H1-0 SCN9A 1717/4885IRAK4 3682/4885CYP2A6 703/4885

“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.