SCHEMBL18335136

SCHEMBL18335136

CC(F)(CNC(=O)c1cccnc1C(F)F)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ IRAK4 Q9NWZ3 6/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ PTGES O14684 2/20 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
SCHEMBL18335132 0.93 EGLN1 (0.36) P2RX7EGLN1IRAK4DRD2DRD3
SCHEMBL18335139 0.92 EGLN1 (0.37) P2RX7EGLN1IRAK4DRD2DRD3
SCHEMBL18335165 0.81 EGLN1 (0.38) P2RX7EGLN1DRD2DRD3PTGES
SCHEMBL18335095 0.77 EGLN1 (0.39) EGLN1IRAK4DRD3PTGES
SCHEMBL18335072 0.73 P2RX7 (0.38) P2RX7EGLN1IRAK4
SCHEMBL18335159 0.72 ACACB (0.34) EGLN1IRAK4PTGES
SCHEMBL18335085 0.71 CHRNB2 (0.38) EGLN1
SCHEMBL18335091 0.71 P2RX7 (0.41) P2RX7EGLN1PTGES
SCHEMBL18335152 0.70 EGLN1 (0.39) EGLN1IRAK4DRD3PTGES
SCHEMBL18335160 0.69 ACACB (0.33) EGLN1PTGES

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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