SCHEMBL18335092

SCHEMBL18335092

CC(C)(C)OC(=O)NCC(F)(F)c1ncc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ AAK1 Q2M2I8 6/20 0.40
▸ RORC P51449 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TSHR P16473 1/20 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
SCHEMBL18335150 0.91 STK17B (0.41) STK17BSTK17AAAK1RORCIDO1
SCHEMBL18335070 0.88 STK17B (0.42) STK17BSTK17AAAK1RORCIDO1
SCHEMBL17917765 0.84 ALDH1A1 (0.35) TSHR
SCHEMBL18335161 0.80 STK17B (0.37) STK17BSTK17AIDO1EGFRAURKB
SCHEMBL18335082 0.80 STK17B (0.37) STK17BSTK17AIDO1CACNA1HCACNA1B
SCHEMBL18335152 0.78 EGLN1 (0.39) STK17BSTK17AEGFRAURKB
SCHEMBL30162902 0.78 AAK1 (0.45) STK17BSTK17AAAK1RORCIDO1
SCHEMBL16809853 0.78 AAK1 (0.45) STK17BSTK17AAAK1RORCIDO1
SCHEMBL15999648 0.77 STK17B (0.43) STK17BSTK17AAAK1RORCIDO1
SCHEMBL14932545 0.76 MAPK1 (0.45) STK17BSTK17A

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 2474/4885AAK1 1804/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 STK17B 2938/4885STK17A 2474/4885AAK1 1804/4885

“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.

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