SCHEMBL13726657

SCHEMBL13726657

c1cncc(-c2ccc(-c3nc4ccccc4nc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.51
DHODH Q02127 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B2 P19099 1/20 0.41
TDP2 O95551 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RAD51 Q06609 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL13726054 0.98 PDK2 (0.52) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13726910 0.97 PDK2 (0.54) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13727937 0.97 PDK2 (0.54) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13726541 0.96 PDK2 (0.53) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13726813 0.96 PDK2 (0.53) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13728260 0.96 PDK2 (0.55) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13727084 0.93 PDK2 (0.47) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13726661 0.93 PDK2 (0.51) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL13727380 0.91 PDK2 (0.50) PDK2DHODHCYP2A6CYP19A1CYP11B1
SCHEMBL24433112 0.90 PDK2 (0.44) PDK2DHODHCYP2A6CYP19A1CYP11B1

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 PDK2 59/4885DHODH 249/4885CYP2A6 1682/4885

“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.