SCHEMBL21187489

SCHEMBL21187489

COc1ccc(-c2c(-n3nnc4cc(Cl)cc(F)c43)ccnc2Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ DYRK1A Q13627 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK4 Q9NR20 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 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
SCHEMBL21187511 0.91 IDO1 (0.35) IDO1TDO2GAADYRK1APTGS1
SCHEMBL21187512 0.86 GRM2 (0.36) IDO1TDO2POLB
SCHEMBL21187509 0.83 IDO1 (0.40) IDO1TDO2AMY1APTGDR2KMT2A
SCHEMBL21187470 0.83 PTGS1 (0.40) IDO1TDO2GAADYRK1APTGS1
SCHEMBL21187488 0.79 IDO1 (0.40) IDO1TDO2KMT2APOLBPDE2A
SCHEMBL21187474 0.74 PTGS1 (0.36) IDO1TDO2DYRK1APTGS1DYRK3
SCHEMBL21187510 0.70 HSD11B1 (0.36) IDO1TDO2POLBPDE2APDE10A
SCHEMBL21187475 0.68 HSD11B1 (0.36) PTGS1PTGS2
SCHEMBL21187452 0.68 HSP90AA1 (0.49) DYRK1AKMT2ACYP2C19HSP90AA1HSP90AB1
SCHEMBL21187490 0.67 HSP90AA1 (0.37) IDO1TDO2DYRK1APTGS1PTGS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440900-B2 Agricultural chemicals GLOBACHEM NV (BE) 2022-09-13 — — US disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
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
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
CN-111601796-A Agricultural chemicals 环球化学股份有限公司 2020-08-28 — — CN 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 (2 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 IDO1 373/4885TDO2 497/4885GAA 1019/4885
US-11440900-B2 Agricultural chemicals NAT1, CYP51A1, NOS1 IDO1 139/4885TDO2 290/4885GAA 1870/4885

“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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