SCHEMBL23568673

SCHEMBL23568673

Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2sccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.44
▸ PTPRC P08575 2/20 0.34
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TDP2 O95551 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL31513486 1.00 PDK2 (0.44) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL23568056 1.00 PDK2 (0.44) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL18334648 0.87 PDK2 (0.37) PDK2TDP2
SCHEMBL9927262 0.85 PTPRC (0.39) PDK2PTPRCKDM4EMAPTMEN1
SCHEMBL783463 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL29574412 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL29602609 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL996751 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL783450 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E
SCHEMBL29399278 0.83 PDK2 (0.58) PDK2PTPRCOPRM1OPRD1KDM4E

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
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
WO-2021122868-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-06-24 — — 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-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, ETV6, ESR1 PDK2 611/4885PTPRC 2609/4885OPRM1 1559/4885

“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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