SCHEMBL24854536

SCHEMBL24854536

COc1cnc(Oc2cccc3c(Cl)nn(CCCC(F)(F)F)c23)nc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 2/20 0.35
▸ ADORA2A P29274 3/20 0.34
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXRA P19793 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31

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
SCHEMBL24853571 0.90 HSP90AA1 (0.35) ADORA2AESR1HSP90AA1HSP90AB1HPGD
SCHEMBL23370304 0.90 CYP1A2 (0.33) ADORA2AESR1HSP90AA1HSP90AB1CYP1A2
SCHEMBL29814445 0.90 CYP1A2 (0.33) ADORA2AESR1HSP90AA1HSP90AB1CYP1A2
SCHEMBL24853719 0.89 ESR1 (0.32) ADORA2AESR1HSP90AA1HSP90AB1CYP1A2
SCHEMBL24854233 0.88 RXRA (0.32) RXRAGRIN1GRIN2B
SCHEMBL24854239 0.87 CYP1A2 (0.33) ESR1HSP90AA1HSP90AB1CYP1A2CYP3A4
SCHEMBL24853742 0.85 ESR1 (0.30) ESR1
SCHEMBL24853757 0.84 ADORA2A (0.34) ADORA2AESR1HSP90AA1HSP90AB1HPGD
SCHEMBL24854537 0.83 CYP1A2 (0.34) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23370440 0.82 CYP1A2 (0.37) ADORA2AESR1HSP90AA1HSP90AB1HPGD

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 1 patent. 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

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 BUB1 172/4885ADORA2A 1751/4885ALOX5AP 2907/4885

“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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