SCHEMBL23370440

SCHEMBL23370440

Cc1nn(CCCC(F)(F)F)c2c(Oc3ncc(Cl)cn3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL23370304 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL29814445 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24853757 0.88 ADORA2A (0.34) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL23370308 0.88 ESR1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL29814635 0.88 ESR1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL23370330 0.88 ESR1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24853568 0.88 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24854239 0.86 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24853571 0.85 HSP90AA1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL23361237 0.85 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1

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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 — — US disclosed
EP-4058444-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Crop Protection AG (CH) 2022-09-21 — — EP disclosed
WO-2021094416-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-05-20 — — WO 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 (1 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-20230002357-A1 7-PYRIMIDINE-2-YL-OXY-INDAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES AZI2, PDXK, DPYD CYP1A2 30/4885CYP3A4 856/4885CYP2D6 120/4885

“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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