SCHEMBL13614944

SCHEMBL13614944

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c(-c6cccc(-c7ccccc7)c6)ccc(-c6cccc(-c7ccccc7)c6)c5nc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.42
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP3 O14638 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 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
SCHEMBL13614942 0.95 PDK2 (0.43) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13614920 0.95 PDK2 (0.43) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13614957 0.95 PDK2 (0.40) PDK2
SCHEMBL12564874 0.95 PDK2 (0.39) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13078940 0.91 PDK2 (0.38) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13727508 0.90 PDK2 (0.45) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13614963 0.90 PDK2 (0.36) PDK2
SCHEMBL13614940 0.90 PDK2 (0.42) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13614997 0.90 PDK2 (0.36) PDK2
SCHEMBL24128688 0.89 PDK2 (0.43) PDK2KDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
US-7612204-B2 Quinoxaline derivative, and light-emitting element and light-emitting device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-11-03 US disclosed
WO-2008047589-A1 QUINOXALINE DERIVATIVE, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-24 WO disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 US disclosed
US-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-04-17 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-20080091012-A1 Quinoxaline Derivative, And Light-Emitting Element And Light-Emitting Device Using Quinoxaline Derivative NQO1, GLB1, PDXK PDK2 363/4885KDM4E 2134/4885LMNA 3244/4885

“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.