SCHEMBL13728014

SCHEMBL13728014

c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6ccncc6)cc5)c(-c5ccc(-c6ccncc6)cc5)nc34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPK14 Q16539 8/20 0.46
MAPK11 Q15759 7/20 0.46
MAPK13 O15264 6/20 0.46
MAPK12 P53778 6/20 0.46
GCGR P47871 3/20 0.46
RAF1 P04049 2/20 0.45
PIK3CA P42336 1/20 0.44
IMPDH2 P12268 1/20 0.43
MAPK10 P53779 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK9 P45984 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 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
SCHEMBL13727001 1.00 MKNK1 (0.49) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL12763648 0.98 NOTUM (0.50) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL13726988 0.90 NOTUM (0.56) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL13726961 0.90 NOTUM (0.56) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL13727251 0.90 NOTUM (0.56) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL13726970 0.90 NOTUM (0.56) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL13078997 0.90 KDM4E (0.41) ADORA2AADORA1HSD17B10
SCHEMBL13078977 0.88 KDM4E (0.40) ADORA2AADORA1HSD17B10
SCHEMBL13726537 0.88 MAPK9 (0.55) MKNK1NOTUMSMN1; SMN2MAPK14MAPK11
SCHEMBL13726282 0.86 CYP11B1 (0.51) MKNK1SMN1; SMN2NPC1MAPTRAB9A

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 7 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-8314101-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device using quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-20 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 MKNK1 1274/4885NOTUM 3660/4885SMN1; 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.