SCHEMBL22175305

SCHEMBL22175305

O=C(c1ccc2c(c1)C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.40
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 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
SCHEMBL12856537 0.89 PDK2 (0.49) PDK2
SCHEMBL134303 0.89 PDK2 (0.49) PDK2
SCHEMBL14854149 0.83 PDK2 (0.46) PDK2
SCHEMBL132979 0.82 PDK2 (0.50) PDK2CYP2C8CYP2C9
SCHEMBL14252222 0.82 PDK2 (0.43) PDK2
SCHEMBL21397856 0.82 PDK2 (0.42) PDK2CDC25BCYP2C8CYP2C9
SCHEMBL14427826 0.82 PDK2 (0.51) PDK2
SCHEMBL15159214 0.82 PDK2 (0.47) PDK2
SCHEMBL13781081 0.81 PDK2 (0.44) PDK2
SCHEMBL18854160 0.81 PDK2 (0.43) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 — — US disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 — — 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 (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-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 PDK2 2190/4885CDC25A 4341/4885CDC25B 4259/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 PDK2 2190/4885CDC25A 4341/4885CDC25B 4259/4885

“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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