SCHEMBL21187485

SCHEMBL21187485

C#CCOc1ccc(Nc2nccc(C)c2-c2ccc(F)cc2Cl)c(N)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.33
▸ MAPK14 Q16539 4/20 0.32
▸ ITK Q08881 1/20 0.31
▸ MAOA P21397 5/20 0.31
▸ MAOB P27338 5/20 0.31
▸ ACHE P22303 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL22599077 0.86 KCNMA1 (0.35) MAPK14LMNAALDH1A1
SCHEMBL21187457 0.85 MAOB (0.32) MAPK14MAOAMAOBACHE
SCHEMBL21187473 0.73 FGFR1 (0.34) ALDH1A1HSD11B1
SCHEMBL21187487 0.72 TDO2 (0.35) MAPK14ALDH1A1HSD11B1
SCHEMBL21187496 0.72 NISCH (0.34) MAPK14ALDH1A1HSD11B1
SCHEMBL22599086 0.71 EPAS1 (0.34) MAPK14LMNAALDH1A1
SCHEMBL21187482 0.69 KDM4E (0.34) MAOAMAOBKDM4EALDH1A1GLA
SCHEMBL21187438 0.67 HSD11B1 (0.42) MAPK14HSD11B1
SCHEMBL21187476 0.66 HSD11B1 (0.43) MAPK14HSD11B1
SCHEMBL21187494 0.64 SLC6A4 (0.41) MAPK14KDM4EGAAHSD11B1

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 EGFR 4547/4885MAPK14 3024/4885ITK 2390/4885

“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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