SCHEMBL13727508

SCHEMBL13727508

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-c6ccncc6)cc5)c(-c5ccccc5)nc34)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPK14 Q16539 9/20 0.37
MAPK11 Q15759 7/20 0.37
MAPK13 O15264 5/20 0.37
MAPK12 P53778 5/20 0.37
RAF1 P04049 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
CSNK1D P48730 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK10 P53779 1/20 0.35
ADORA2A P29274 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
SCHEMBL13727648 0.97 PDK2 (0.47) PDK2SMN1; SMN2NOTUMMAPK14MAPK11
SCHEMBL12564874 0.92 PDK2 (0.39) PDK2SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13726536 0.90 PDK2 (0.45) PDK2SMN1; SMN2NOTUMMAPK14MAPK11
SCHEMBL13614944 0.90 PDK2 (0.42) PDK2SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13614920 0.90 PDK2 (0.43) PDK2SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13614942 0.90 PDK2 (0.43) PDK2SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13614957 0.90 PDK2 (0.40) PDK2
SCHEMBL13727891 0.89 PDK2 (0.48) PDK2SMN1; SMN2MKNK1KDM4EALDH1A1
SCHEMBL13078940 0.88 PDK2 (0.38) PDK2SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13728162 0.88 PDK2 (0.49) PDK2ALDH1A1

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-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

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 59/4885SMN1; SMN2 4090/4885NOTUM 3660/4885

“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.