SCHEMBL21397029

SCHEMBL21397029

C[Si]1(C)c2ccccc2N(c2ccc(-c3cnccc3N3c4ccccc4[Si](C)(C)c4ccccc43)cc2C#N)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
SLC22A12 Q96S37 9/20 0.34
PRKCQ Q04759 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
PRKACA P17612 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PIP4K2A P48426 1/20 0.32

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
SCHEMBL21397024 0.82 AR (0.37) CYP11B1CYP11B2NCOA3SLC22A12PRKCQ
SCHEMBL21397152 0.81 CYP11B2 (0.37) CYP11B1CYP11B2NCOA3SLC22A12CLK2
SCHEMBL21396643 0.81 CYP11B1 (0.38) CYP11B1CYP11B2SLC22A12
SCHEMBL21397038 0.81 CYP11B2 (0.37) CYP11B1CYP11B2NCOA3SLC22A12CDK5
SCHEMBL21396946 0.79 CYP11B1 (0.35) CYP11B1CYP11B2NCOA3SLC22A12CLK4
SCHEMBL21397027 0.78 ALDH1A1 (0.36) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL21396727 0.75 CYP11B2 (0.33) CYP11B1CYP11B2NCOA3KDM4E
SCHEMBL19345046 0.75 IMPDH2 (0.34) KDM4EALDH1A1GLAGAA
SCHEMBL21396678 0.72 NCOA3 (0.42) CYP11B1CYP11B2NCOA3SLC22A12CLK2
SCHEMBL21927763 0.71 MEN1 (0.34) NCOA3SLC22A12SLC22A6SLC22A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B1 1877/4885CYP11B2 1859/4885NCOA3 1772/4885

“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.