SCHEMBL4301620

SCHEMBL4301620

CC(C)(C)OC(=O)N1CCOC(COc2ccc(Cl)cc2I)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.54
▸ ERBB2 P04626 1/20 0.51
▸ EPHB4 P54760 1/20 0.51
▸ DRD4 P21917 15/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ RBP4 P02753 1/20 0.41

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
SCHEMBL4301622 1.00 EPHA2 (0.54) EPHA2ERBB2EPHB4DRD4DRD2
SCHEMBL29827125 0.85 EPHA2 (0.51) EPHA2ERBB2EPHB4
SCHEMBL4510923 0.82 EPHA2 (0.54) EPHA2ERBB2EPHB4DRD4
SCHEMBL304726 0.80 KDM4E (0.51) EPHA2ERBB2EPHB4DRD4DRD2
SCHEMBL304725 0.80 KDM4E (0.51) EPHA2ERBB2EPHB4DRD4DRD2
SCHEMBL28851224 0.79 EPHA2 (0.51) EPHA2ERBB2EPHB4DRD4
SCHEMBL1700442 0.79 EPHA2 (0.51) EPHA2ERBB2EPHB4
SCHEMBL306369 0.79 EPHA2 (0.50) EPHA2ERBB2EPHB4DRD4
SCHEMBL22944175 0.79 EPHA2 (0.52) EPHA2ERBB2EPHB4
SCHEMBL4302361 0.79 DRD4 (0.54) EPHA2EPHB4DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 — — US 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-20090312288-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 EPHA2 950/4885ERBB2 85/4885EPHB4 1910/4885

“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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