SCHEMBL18335072

SCHEMBL18335072

N#CC(C#N)(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL18335138 0.82 LMNA (0.41) P2RX7
SCHEMBL18335091 0.79 P2RX7 (0.41) P2RX7EGLN1CTSS
SCHEMBL18335139 0.75 EGLN1 (0.37) P2RX7EGLN1IRAK4
SCHEMBL18335136 0.73 P2RX7 (0.37) P2RX7EGLN1IRAK4
SCHEMBL18335132 0.72 EGLN1 (0.36) P2RX7EGLN1IRAK4
SCHEMBL16665055 0.71 EGLN1 (0.41) P2RX7EGLN1CNR2
SCHEMBL18335060 0.70 PTGES (0.37) EGLN1
SCHEMBL18335114 0.69 SLC6A2 (0.37) EGLN1
SCHEMBL16540850 0.69 LMNA (0.45) P2RX7
SCHEMBL14921068 0.68 P2RX7 (0.47) P2RX7

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 P2RX7 432/4885EGLN1 1022/4885IRAK4 4284/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 P2RX7 432/4885EGLN1 1022/4885IRAK4 4284/4885

“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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