SCHEMBL13614990

SCHEMBL13614990

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4nc5c(-c6ccc7ccccc7c6)ccc(-c6ccc7ccccc7c6)c5nc4-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GSTP1 P09211 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
MAOB P27338 1/20 0.38
PDK2 Q15119 8/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ADORA2B P29275 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DHFR P00374 1/20 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
SCHEMBL13615003 0.93 PDK2 (0.41) PDK2
SCHEMBL13614996 0.88 PDK2 (0.43) PDK2
SCHEMBL13614999 0.87 PDK2 (0.46) PDK2
SCHEMBL13614985 0.87 PDK2 (0.46) PDK2
SCHEMBL12564875 0.87 PDK2 (0.41) ADORA1PDK2DHFR
SCHEMBL13614935 0.87 LPL (0.38) SLC6A2SLC6A4SLC6A3GSTP1ESR1
SCHEMBL13615004 0.86 PDK2 (0.40) ESR1ESR2PDK2
SCHEMBL13614963 0.85 PDK2 (0.36) PDK2
SCHEMBL13614997 0.85 PDK2 (0.36) PDK2
SCHEMBL13726760 0.85 PDK2 (0.49) ADORA2AADORA1PDK2MAPK8MAPK9

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 SLC6A2 2761/4885SLC6A4 2784/4885SLC6A3 2622/4885

“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.