SCHEMBL13726489

SCHEMBL13726489

c1ccc(-c2cccc3c(-c4cccc5c(-c6nc7ccccc7nc6-c6cccc7c(-c8cccc9c(-c%10ccccn%10)cccc89)cccc67)cccc45)cccc23)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.48
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 3/20 0.46
NPC1 O15118 5/20 0.46
METAP1 P53582 3/20 0.45

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
SCHEMBL13726458 0.98 TGFBR1 (0.49) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13727834 0.95 KDM4E (0.47) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13727080 0.93 KDM4E (0.49) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13727515 0.92 L3MBTL1 (0.50) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13726500 0.91 L3MBTL1 (0.49) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13726490 0.91 L3MBTL1 (0.51) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13820014 0.87 L3MBTL1 (0.47) TGFBR1KDM4ELMNAMAPK1HTT
SCHEMBL13728155 0.85 NPC1 (0.52) TGFBR1KDM4ESMN1; SMN2LMNATP53
SCHEMBL13726246 0.85 L3MBTL1 (0.49) TGFBR1KDM4ELMNAMAPK1HTT
SCHEMBL13728222 0.85 DHODH (0.49) TGFBR1KDM4ESMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586740-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-11-19 US disclosed
US-20130049577-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2013-02-28 US disclosed
US-20130049577-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2013-02-28 US disclosed
US-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-08-13 US disclosed
US-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-08-13 US disclosed
EP-2065378-A1 Quinoxaline derivate, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative Semiconductor Energy Laboratory Co, Ltd. (JP) 2009-06-03 EP 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-20090203704-A1 Quinoxaline Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Quinoxaline Derivative PDXK, NQO1, PPOX TGFBR1 4240/4885KDM4E 1083/4885SMN1; SMN2 4090/4885

“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.