SCHEMBL21177389

SCHEMBL21177389

COc1cc(F)c(-c2c(C)ncnc2Nc2c(F)cc(Cl)cc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.35
▸ RPS6KB2 Q9UBS0 1/20 0.35
▸ EGFR P00533 8/20 0.34
▸ KDR P35968 4/20 0.34
▸ FGFR1 P11362 3/20 0.34
▸ FLT1 P17948 3/20 0.34
▸ FLT4 P35916 3/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ RET P07949 1/20 0.33
▸ KIF5B P33176 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ EPHB2 P29323 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
SCHEMBL22598821 0.85 EGFR (0.39) EGFRABCG2MEN1KMT2AS1PR4
SCHEMBL21187497 0.82 EGFR (0.36) EGFRKDRFGFR1FLT1FLT4
SCHEMBL22598787 0.79 S1PR4 (0.36) EGFRKMT2AS1PR4LMNAMAPT
SCHEMBL30211206 0.79 PDE2A (0.37) ABCG2MEN1POLBKMT2AS1PR4
SCHEMBL23804485 0.79 PDE2A (0.37) ABCG2MEN1POLBKMT2AS1PR4
SCHEMBL22598788 0.73 DHODH (0.38) EGFRABCG2MEN1KMT2ALMNA
SCHEMBL21177795 0.73 ATM (0.36) EGFRKMT2AS1PR4LMNAMAPT
SCHEMBL17178271 0.70 CYP1A2 (0.47) MEN1KMT2A
SCHEMBL20680757 0.69 PDE2A (0.37) ABCG2MEN1KMT2ALMNAMAPT
SCHEMBL30211213 0.69 PDE2A (0.37) ABCG2MEN1KMT2ALMNAMAPT

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 9 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
EP-3740474-A1 AGRICULTURAL CHEMICALS Globachem NV (BE) 2020-11-25 — — 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
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 FGFR4 1264/4885RPS6KB2 4461/4885EGFR 4547/4885
US-11440900-B2 Agricultural chemicals NAT1, CYP51A1, NOS1 FGFR4 1283/4885RPS6KB2 4609/4885EGFR 4181/4885

“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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