SCHEMBL18335070

SCHEMBL18335070

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ AAK1 Q2M2I8 6/20 0.41
▸ RORC P51449 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ MAPKAPK2 P49137 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ KDR P35968 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
SCHEMBL15999648 0.89 STK17B (0.43) STK17BSTK17AAAK1RORCTRPA1
SCHEMBL18335150 0.88 STK17B (0.41) STK17BSTK17AAAK1RORCTRPA1
SCHEMBL18335092 0.88 STK17B (0.41) STK17BSTK17AAAK1RORCTRPA1
SCHEMBL14932545 0.83 MAPK1 (0.45) STK17BSTK17AKDM4EMEN1ALDH1A1
SCHEMBL30162902 0.80 AAK1 (0.45) STK17BSTK17AAAK1RORCTRPA1
SCHEMBL16809853 0.80 AAK1 (0.45) STK17BSTK17AAAK1RORCTRPA1
SCHEMBL16552184 0.78 STK17B (0.47) STK17BSTK17AAAK1TRPA1IDO1
SCHEMBL18335102 0.77 EGLN1 (0.41) STK17BSTK17A
SCHEMBL16593050 0.77 STK17B (0.46) STK17BSTK17AAAK1IDO1HPGD
SCHEMBL18335064 0.76 AAK1 (0.44) STK17BSTK17AAAK1RORCTRPA1

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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