SCHEMBL21187576

SCHEMBL21187576

COc1ccc(-c2c(C)ncnc2Nc2c(N)cc(Cl)cc2F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.39
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ DRD1 P21728 2/20 0.36
▸ CRHR1 P34998 2/20 0.36
▸ KDR P35968 4/20 0.35
▸ SRC P12931 2/20 0.35
▸ RET P07949 1/20 0.35
▸ KIF5B P33176 1/20 0.35
▸ FLT4 P35916 3/20 0.34
▸ ERBB2 P04626 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FLT1 P17948 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ TEK Q02763 1/20 0.34

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
SCHEMBL21187495 0.93 EGFR (0.37) EGFRHSP90AA1HSP90AB1DRD1CRHR1
SCHEMBL21187575 0.87 EGFR (0.36) EGFRERBB2CLK1
SCHEMBL21187497 0.84 EGFR (0.36) EGFRKDRRETKIF5BFLT4
SCHEMBL22598821 0.84 EGFR (0.39) EGFRDRD1CRHR1
SCHEMBL21187440 0.81 SLC34A1 (0.35) EGFRERBB2CLK1
SCHEMBL22599078 0.78 HSP90AA1 (0.37) EGFRHSP90AA1HSP90AB1SRCCTSD
SCHEMBL24158349 0.78 HSP90AA1 (0.37) EGFRHSP90AA1HSP90AB1DRD1CRHR1
SCHEMBL21187493 0.77 DHODH (0.39) EGFRERBB2
SCHEMBL15688522 0.76 DRD1 (0.53) HSP90AA1HSP90AB1DRD1CRHR1
SCHEMBL21187437 0.75 HSP90AA1 (0.48) HSP90AA1HSP90AB1DRD1CRHR1KDR

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 4547/4885HSP90AA1 3401/4885HSP90AB1 2762/4885

“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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