SCHEMBL13728221

SCHEMBL13728221

c1cncc(-c2ccc(-c3cccc4c(-c5nc6ccccc6nc5-c5cccc6c(-c7ccc(-c8cccnc8)cc7)cccc56)cccc34)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
DHODH Q02127 2/20 0.48
TNF P01375 1/20 0.47
PIK3CA P42336 1/20 0.46
CYP2A6 P11509 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TGFBR1 P36897 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B2 P19099 1/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP1 O94782 4/20 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
SCHEMBL13727203 0.96 DHODH (0.48) CYP11B1DHODHTNFPIK3CAALDH1A1
SCHEMBL13728213 0.95 CYP11B1 (0.51) CYP11B1DHODHPIK3CACYP2A6ALDH1A1
SCHEMBL13727366 0.92 CYP11B1 (0.58) CYP11B1DHODHTNFCYP2A6ALDH1A1
SCHEMBL13726294 0.91 DHODH (0.49) CYP11B1DHODHPIK3CACYP2A6ALDH1A1
SCHEMBL13727852 0.91 CYP11B1 (0.57) CYP11B1DHODHTNFCYP2A6ALDH1A1
SCHEMBL13726624 0.90 ALDH1A1 (0.51) CYP11B1DHODHTNFCYP2A6ALDH1A1
SCHEMBL13727179 0.89 CYP11B1 (0.55) CYP11B1DHODHTNFPIK3CAALDH1A1
SCHEMBL13725983 0.88 L3MBTL1 (0.55) CYP11B1DHODHTNFALDH1A1CYP1A2
SCHEMBL29412316 0.88 CYP11B1 (0.54) CYP11B1DHODHTNFALDH1A1CYP1A2
SCHEMBL13726313 0.88 CYP11B1 (0.54) CYP11B1DHODHTNFALDH1A1CYP1A2

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 2804/4885DHODH 249/4885TNF 4243/4885

“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.