SCHEMBL13727255

SCHEMBL13727255

CC1(C)c2ccccc2-c2ccc(-c3cc4nc(-c5ccc(-c6cccnc6)cc5)c(-c5ccc(-c6cccnc6)cc5)nc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.49
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 3/20 0.40
CYP17A1 P05093 2/20 0.40
CYP11B2 P19099 2/20 0.40
TDP2 O95551 2/20 0.39
DHODH Q02127 2/20 0.38
CYP2A6 P11509 2/20 0.37
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPY5R Q15761 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
SCHEMBL13727858 0.99 PDK2 (0.48) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13726215 0.93 PDK2 (0.49) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13728162 0.91 PDK2 (0.49) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13727891 0.89 PDK2 (0.48) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13728438 0.89 PDK2 (0.49) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13727269 0.88 PDK2 (0.48) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13726661 0.88 PDK2 (0.51) PDK2CYP19A1CYP11B1CYP17A1CYP11B2
SCHEMBL13726536 0.88 PDK2 (0.45) PDK2ALDH1A1KDM4EGAAMAPT
SCHEMBL13727268 0.88 PDK2 (0.47) PDK2DHODHALDH1A1KDM4EMAPT
SCHEMBL13726766 0.87 PDK2 (0.47) PDK2CYP19A1CYP11B1CYP17A1CYP11B2

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 PDK2 59/4885CYP19A1 3647/4885CYP11B1 2804/4885

“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.