SCHEMBL13727360

SCHEMBL13727360

c1cncc(-c2ccccc2-c2nc3ccccc3nc2-c2ccccc2-c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP2A6 P11509 3/20 0.50
RAD51 Q06609 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
LCK P06239 1/20 0.49
PTGS2 P35354 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
AHR P35869 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LDHA P00338 1/20 0.47
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL13726257 0.95 L3MBTL1 (0.60) CYP11B1L3MBTL1ALDH1A1CYP2A6RAD51
SCHEMBL13727366 0.88 CYP11B1 (0.58) CYP11B1L3MBTL1ALDH1A1CYP2A6RAD51
SCHEMBL13727070 0.87 L3MBTL1 (0.51) CYP11B1L3MBTL1ALDH1A1CYP2A6RAD51
SCHEMBL13727852 0.86 CYP11B1 (0.57) CYP11B1L3MBTL1ALDH1A1CYP2A6RAD51
SCHEMBL13726480 0.86 CYP11B1 (0.60) CYP11B1ALDH1A1CYP2A6RAD51CYP1A2
SCHEMBL13726795 0.84 CYP11B1 (0.58) CYP11B1ALDH1A1CYP2A6RAD51CYP1A2
SCHEMBL7964504 0.84 RAD51 (0.60) CYP11B1L3MBTL1ALDH1A1CYP2A6RAD51
SCHEMBL30026143 0.84 CYP2A6 (0.70) CYP11B1ALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL20541087 0.84 CYP2A6 (0.70) CYP11B1ALDH1A1CYP2A6CYP1A2CYP3A4
SCHEMBL13725983 0.84 L3MBTL1 (0.55) CYP11B1L3MBTL1ALDH1A1CYP1A2CYP3A4

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 2804/4885L3MBTL1 1468/4885ALDH1A1 1105/4885

“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.