SCHEMBL18335161

SCHEMBL18335161

CC(C)(C)OC(=O)NCC(F)(F)c1ncc(C#CCO)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.32
▸ APP P05067 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32

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
SCHEMBL18335082 0.92 STK17B (0.37) STK17BSTK17APTPN11ADRA2ADRD5
SCHEMBL18335152 0.85 EGLN1 (0.39) STK17BSTK17AADRA2ADRD5DRD3
SCHEMBL18335092 0.80 STK17B (0.41) STK17BSTK17AEGFRAURKBIDO1
SCHEMBL18335095 0.77 EGLN1 (0.39) STK17BSTK17AADRA2ADRD5DRD3
SCHEMBL18335102 0.74 EGLN1 (0.41) STK17BSTK17APTPN11EGLN1IRAK4
SCHEMBL18335150 0.71 STK17B (0.41) STK17BSTK17AEGFRAURKBIDO1
SCHEMBL14932545 0.71 MAPK1 (0.45) STK17BSTK17AALDH1A1GAAMAPK1
SCHEMBL22777869 0.70 PTPN11 (0.54) STK17BSTK17APTPN11GAAADRA2A
SCHEMBL15999648 0.69 STK17B (0.43) STK17BSTK17APOLBMAPK1ATM
SCHEMBL30463958 0.69 PTPN11 (0.54) PTPN11ADRA2ADRD5DRD3P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-24 — — US disclosed
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-12 — — US disclosed
EP-3109234-A1 ALKYNYLPYRIDINE-SUBSTITUTED AMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2016-12-28 — — EP 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-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide CHRM1, CHRM2, CHRM3 STK17B 2938/4885STK17A 2474/4885PTPN11 641/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 STK17B 2938/4885STK17A 2474/4885PTPN11 641/4885

“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.

Send feedback