SCHEMBL13614940

SCHEMBL13614940

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c(-c6ccccc6-c6ccccc6)ccc(-c6ccccc6-c6ccccc6)c5nc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.42
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.35

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) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL13078930 0.95 PDK2 (0.38) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL13614920 0.95 PDK2 (0.43) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL13078940 0.91 PDK2 (0.38) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL13614944 0.90 PDK2 (0.42) PDK2LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL13078911 0.89 PDK2 (0.39) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL12564874 0.89 PDK2 (0.39) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL13614957 0.89 PDK2 (0.40) PDK2
SCHEMBL13614995 0.86 PDK2 (0.43) PDK2LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL24128475 0.86 PDK2 (0.46) PDK2LMNASMN1; SMN2L3MBTL1HTT

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 363/4885LMNA 3244/4885SMN1; SMN2 3777/4885

“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.