SCHEMBL12564896

SCHEMBL12564896

O=C(C(=O)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 19/20 0.54
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 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
SCHEMBL17265018 0.87 PDK2 (0.54) PDK2
SCHEMBL15041018 0.86 PDK2 (0.47) PDK2CES2CES1
SCHEMBL6294152 0.86 PDK2 (0.53) PDK2
SCHEMBL12930008 0.85 CES2 (0.52) PDK2CES2CES1
SCHEMBL415665 0.84 PDK2 (0.50) PDK2
SCHEMBL29424156 0.84 PDK2 (0.50) PDK2
SCHEMBL29756478 0.84 PDK2 (0.50) PDK2
SCHEMBL416947 0.84 PDK2 (0.50) PDK2
SCHEMBL29512055 0.84 PDK2 (0.50) PDK2
SCHEMBL6297506 0.84 PDK2 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8460801-B2 Quinoxaline derivatives and their use in organic light-emitting diode device China Petrochemical Development Corp (TW) 2013-06-11 — — US disclosed
US-8460801-B2 Quinoxaline derivatives and their use in organic light-emitting diode device China Petrochemical Development Corp (TW) 2013-06-11 — — US disclosed
US-20110147720-A1 Novel Quinoxaline Derivatives and Their Use in Organic Light-Emitting Diode Device CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2011-06-23 — — US disclosed
US-20110147720-A1 Novel Quinoxaline Derivatives and Their Use in Organic Light-Emitting Diode Device CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2011-06-23 — — 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-20110147720-A1 Novel Quinoxaline Derivatives and Their Use in Organic Light-Emitting Diode Device GFPT1, PPOX, TDO2 PDK2 279/4885CES2 3538/4885CES1 4490/4885

“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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