SCHEMBL13727554

SCHEMBL13727554

c1ccc(-c2cc3nc(-c4ccc(-c5cccnc5)cc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 4/20 0.51
CYP19A1 P11511 3/20 0.51
CYP17A1 P05093 1/20 0.51
ALDH1A1 P00352 5/20 0.48
CYP2A6 P11509 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
DHODH Q02127 2/20 0.47
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL13726649 1.00 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13726683 1.00 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13726814 1.00 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13726470 0.93 TDP1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13727217 0.92 CYP19A1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13819937 0.92 CYP19A1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13728514 0.92 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13727365 0.92 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13727687 0.90 CYP11B2 (0.65) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL13727232 0.89 TDP1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1

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 CYP11B1 2804/4885CYP11B2 1714/4885CYP19A1 3647/4885

“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.