SCHEMBL21397022

SCHEMBL21397022

N#Cc1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c(-c2ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)nc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 1/20 0.33
EGLN1 Q9GZT9 4/20 0.33
GRM5 P41594 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RET P07949 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAP4K4 O95819 1/20 0.31
JAK2 O60674 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 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
SCHEMBL21397030 0.89 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396791 0.83 ALDH1A1 (0.35) CYP11B1CYP11B2RETCYP2C19FLT3
SCHEMBL21397034 0.80 LMNA (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397153 0.80 ABL1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396939 0.79 CYP11B2 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396700 0.79 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21397025 0.78 PGR (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20997988 0.78 MGLL (0.40) CYP11B2
SCHEMBL21927761 0.78 CHEK1 (0.37)
SCHEMBL21397158 0.77 PDK2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 2479/4885GABRG2 3243/4885GABRB3 2616/4885

“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.