SCHEMBL23370326

SCHEMBL23370326

COc1cc(Oc2cccc3cnn(CCCC(F)(F)F)c23)ncn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TNNI3K Q59H18 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ USP1 O94782 2/20 0.33
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32

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 0.83 ADORA2A (0.40) ADORA2AALDH1A1USP1SIGMAR1
SCHEMBL23370441 0.82 NPC1 (0.35) KDRMAPK14TNNI3KALDH1A1
SCHEMBL23370324 0.80 ALDH1A1 (0.34) ADORA2AKDRMAPK14TNNI3KALDH1A1
SCHEMBL23370320 0.77 PPARG (0.36) USP1MAP4K1
SCHEMBL23370331 0.77 CYP1A2 (0.34) ADORA2AUSP1GRIN1GRIN2B
SCHEMBL23370305 0.74 HPGD (0.33) USP1
SCHEMBL29808506 0.73 KDR (0.36) KDRMAPK14TNNI3KALDH1A1
SCHEMBL23247716 0.73 KDR (0.36) KDRMAPK14TNNI3KALDH1A1
SCHEMBL23370318 0.71 CYP1A2 (0.35) USP1GRIN1GRIN2B
SCHEMBL23370339 0.70 HTR2A (0.35) —

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 ADORA2A 1751/4885KDR 2885/4885MAPK14 1978/4885

“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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