SCHEMBL21187456

SCHEMBL21187456

Fc1ccc(-c2c(-n3cnc4cc(F)cc(F)c43)ccnc2Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.36
▸ MAPK13 O15264 2/20 0.36
▸ MAPK12 P53778 2/20 0.36
▸ MAPK11 Q15759 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ NISCH Q9Y2I1 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 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
SCHEMBL21187475 0.93 HSD11B1 (0.36) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL21187455 0.82 HSD11B1 (0.42) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL21187498 0.80 HSD11B1 (0.39) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL21187470 0.80 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL20697995 0.78 HSD11B1 (0.39) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL21187474 0.77 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL21182369 0.76 HSD11B1 (0.39) HSD11B1PTGS1PTGS2DPP4
SCHEMBL20698166 0.75 HSD11B1 (0.41) HSD11B1PTGS1PTGS2DPP4
SCHEMBL20697945 0.75 HSD11B1 (0.39) HSD11B1PTGS1PTGS2DPP4CNR2
SCHEMBL21187512 0.74 GRM2 (0.36) MAPK14MAPK13MAPK12MAPK11HSD11B1

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 MAPK14 3024/4885MAPK13 2672/4885MAPK12 2805/4885

“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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