SCHEMBL21187470

SCHEMBL21187470

COc1ccc(-c2c(-n3cnc4cc(Cl)cc(F)c43)ccnc2Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK4 Q9NR20 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL21187474 0.91 PTGS1 (0.36) PTGS1PTGS2IDO1TDO2DYRK1A
SCHEMBL21187475 0.86 HSD11B1 (0.36) PTGS1PTGS2MAPK1
SCHEMBL21187489 0.83 IDO1 (0.41) PTGS1PTGS2IDO1TDO2GAA
SCHEMBL21187456 0.80 MAPK14 (0.36) PTGS1PTGS2
SCHEMBL21187445 0.79 DRD1 (0.38) PTGS1PTGS2IDO1TDO2HTT
SCHEMBL21187511 0.75 IDO1 (0.35) PTGS1PTGS2IDO1TDO2GAA
SCHEMBL21187499 0.72 DRD1 (0.35) PTGS1PTGS2HTTALDH1A1GFER
SCHEMBL20698033 0.71 CRHR1 (0.37) PTGS1PTGS2CRHR1
SCHEMBL21187471 0.69 HSD11B1 (0.39) PTGS1PTGS2
SCHEMBL21187452 0.69 HSP90AA1 (0.49) DYRK1AHTTALDH1A1MAPK1MAPK10

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
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 PTGS1 2855/4885PTGS2 1986/4885IDO1 373/4885

“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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