SCHEMBL23370339

SCHEMBL23370339

Oc1cccc2cnn(CCCC(F)(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.35
▸ HTR2C P28335 5/20 0.35
▸ HTR2B P41595 5/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ SCD O00767 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ADRA2A P08913 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
SCHEMBL23370338 0.80 ADORA2A (0.40) HTR2AHTR2CHTR2BJAK2JAK1
SCHEMBL24854226 0.75 ESR1 (0.33) HTR2AHTR2CHTR2BJAK2JAK1
SCHEMBL24854151 0.74 KCNMA1 (0.38) —
SCHEMBL31079489 0.74 HTR2A (0.45) HTR2AHTR2CHTR2BKMOADRA2A
SCHEMBL23370331 0.73 CYP1A2 (0.34) JAK2JAK1CYP1A2
SCHEMBL23370322 0.72 ESR1 (0.40) JAK2JAK1SCD
SCHEMBL29617914 0.72 ESR1 (0.43) —
SCHEMBL23370327 0.72 ESR1 (0.43) —
SCHEMBL23370326 0.70 ADORA2A (0.35) —
SCHEMBL24854462 0.69 ESR1 (0.36) HTR2AHTR2CHTR2B

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 HTR2A 3027/4885HTR2C 1653/4885HTR2B 2789/4885

“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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