SCHEMBL24853757

SCHEMBL24853757

COc1nn(CCCC(F)(F)F)c2c(Oc3ncc(Cl)cn3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ RORC P51449 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 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
SCHEMBL23370440 0.88 CYP1A2 (0.37) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23370304 0.88 CYP1A2 (0.33) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29814445 0.88 CYP1A2 (0.33) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24853568 0.86 CYP1A2 (0.32) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29814635 0.86 ESR1 (0.33) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23370308 0.86 ESR1 (0.33) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23370330 0.86 ESR1 (0.33) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24854239 0.85 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL24854536 0.84 BUB1 (0.35) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23361237 0.83 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 2 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

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 ADORA2A 1751/4885CYP1A2 30/4885CYP3A4 856/4885

“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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