SCHEMBL18335115

SCHEMBL18335115

NCCc1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA2 Q15822 2/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ PGK1 P00558 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ PTPN11 Q06124 1/20 0.30

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
SCHEMBL18335096 0.80 CHRNB2 (0.39) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335098 0.77 EGLN1 (0.44) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335073 0.74 EGLN1 (0.44) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335097 0.74 CHRNB2 (0.37) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335128 0.74 CHRNB2 (0.37) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335112 0.74 CHRNB2 (0.39) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335062 0.72 EGLN1 (0.41) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335085 0.72 CHRNB2 (0.38) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL19063442 0.72 CHRNB2 (0.41) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL18335094 0.71 CHRNB2 (0.37) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4

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 CHRNB2 800/4885CHRNA2 279/4885CHRNB4 576/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 CHRNB2 800/4885CHRNA2 279/4885CHRNB4 576/4885

“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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