SCHEMBL6725046

SCHEMBL6725046

CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c(-c4ccccc4)c4nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccccc5)nc4c3-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.33
PDK2 Q15119 2/20 0.32
KDM4E B2RXH2 2/20 0.31
NOX1 Q9Y5S8 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSMB5 P28074 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13078921 0.92 PDK2 (0.37) PDK2KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL12207337 0.90 ADK (0.34) ADKPDK2KDM4ENOX1LMNA
SCHEMBL6725085 0.90 ADK (0.34) ADKPDK2KDM4ENOX1LMNA
SCHEMBL6725073 0.88 PDK2 (0.33) ADKPDK2
SCHEMBL12207676 0.88 PDK2 (0.34) ADKPDK2KDM4ELMNASMN1; SMN2
SCHEMBL12564882 0.88 PDK2 (0.34) ADKPDK2KDM4ELMNASMN1; SMN2
SCHEMBL12690696 0.87 PDK2 (0.34) ADKPDK2KDM4ELMNASMN1; SMN2
SCHEMBL14447296 0.86 PDK2 (0.38) ADKPDK2KDM4ENOX1LMNA
SCHEMBL6725777 0.85 PDK2 (0.32) ADKPDK2KDM4ELMNASMN1; SMN2
SCHEMBL12207288 0.84 TDP1 (0.35) KDM4ELMNASMN1; SMN2PSMB5ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 ADK 2350/4885PDK2 625/4885KDM4E 2006/4885

“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.