SCHEMBL23370329

SCHEMBL23370329

COc1cccc2c(C(F)(F)F)nn(CCCC(F)(F)F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.39
▸ ESR1 P03372 2/20 0.36
▸ HASPIN Q8TF76 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ CNR2 P34972 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 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
SCHEMBL29617945 0.89 ESR1 (0.34) ADORA2AESR1SCN9AGAAPTGDR2
SCHEMBL23370317 0.86 HASPIN (0.41) ADORA2AESR1HASPINSCN9ACYP19A1
SCHEMBL29907751 0.85 ADORA2A (0.39) ADORA2AESR1HASPINCYP19A1NQO2
SCHEMBL24854569 0.83 PTGDR2 (0.32) ADORA2AESR1PTGDR2
SCHEMBL24854251 0.82 PTGDR2 (0.33) ADORA2AESR1PTGDR2
SCHEMBL23370303 0.82 ADORA2A (0.37) ADORA2AHASPINCYP19A1NQO2CNR2
SCHEMBL29617914 0.81 ESR1 (0.43) ESR1CNR2PTGDR2ALDH1A1HTT
SCHEMBL23370327 0.81 ESR1 (0.43) ESR1CNR2PTGDR2ALDH1A1HTT
SCHEMBL23370330 0.80 ESR1 (0.33) ADORA2AESR1HPGD
SCHEMBL23370302 0.78 ADORA2A (0.35) ADORA2AHASPINCYP19A1NQO2CNR2

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 ADORA2A 1751/4885ESR1 4145/4885HASPIN 1826/4885

“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.

Send feedback