SCHEMBL23370317

SCHEMBL23370317

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 2/20 0.41
▸ ADORA2A P29274 3/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ MPO P05164 2/20 0.34
▸ GLS O94925 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL29907751 0.86 ADORA2A (0.39) HASPINADORA2ACYP19A1NQO2PGR
SCHEMBL23370329 0.86 ADORA2A (0.39) HASPINADORA2ACYP19A1NQO2CNR2
SCHEMBL23370303 0.83 ADORA2A (0.37) HASPINADORA2ACYP19A1NQO2PGR
SCHEMBL23370322 0.82 ESR1 (0.40) PGRNR3C2CNR2GLSESR1
SCHEMBL23370440 0.81 CYP1A2 (0.37) ADORA2APGRNR3C2HPGDESR1
SCHEMBL23370302 0.79 ADORA2A (0.35) HASPINADORA2ACYP19A1NQO2CNR2
SCHEMBL29907756 0.78 CNR2 (0.50) ADORA2ACNR2ALDH1A1HTT
SCHEMBL29617945 0.76 ESR1 (0.34) ADORA2AGAAHTTESR1PTGDR2
SCHEMBL23370338 0.75 ADORA2A (0.40) ADORA2ACNR2KDM4EALDH1A1GLA
SCHEMBL23361234 0.75 NPC1 (0.43) —

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
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 HASPIN 1826/4885ADORA2A 1751/4885CYP19A1 1182/4885

“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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