SCHEMBL13726537

SCHEMBL13726537

c1ccc(-c2nc3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccccc5c4)c3nc2-c2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 4/20 0.55
MAPK10 P53779 4/20 0.55
MAPK8 P45983 3/20 0.55
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
MAPK14 Q16539 7/20 0.46
MAPK11 Q15759 6/20 0.46
CSNK1D P48730 5/20 0.46
NOTUM Q6P988 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
GSTP1 P09211 1/20 0.42
CCNC P24863 2/20 0.42

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
SCHEMBL13727645 0.97 MAPK10 (0.58) MAPK9MAPK10MAPK8ADORA2AADORA1
SCHEMBL13078964 0.91 ADORA2A (0.55) MAPK9MAPK10MAPK8ADORA2AADORA1
SCHEMBL13078950 0.89 ADORA2A (0.54) MAPK9MAPK10MAPK8ADORA2AADORA1
SCHEMBL13727001 0.88 MKNK1 (0.49) MAPK9MAPK10MAPK8ADORA2AADORA1
SCHEMBL13728014 0.88 MKNK1 (0.49) MAPK9MAPK10MAPK8ADORA2AADORA1
SCHEMBL13726970 0.87 NOTUM (0.56) MAPK9MAPK10ADORA2AADORA1MAPK14
SCHEMBL13726961 0.87 NOTUM (0.56) MAPK9MAPK10ADORA2AADORA1MAPK14
SCHEMBL13727251 0.87 NOTUM (0.56) MAPK9MAPK10ADORA2AADORA1MAPK14
SCHEMBL13726988 0.87 NOTUM (0.56) MAPK9MAPK10ADORA2AADORA1MAPK14
SCHEMBL13726534 0.87 CYP11B2 (0.65) ADORA2AADORA1CYP17A1CYP19A1CYP11B1

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 MAPK9 2054/4885MAPK10 1815/4885MAPK8 1439/4885

“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.