SCHEMBL21396640

SCHEMBL21396640

C[Si]1(C)c2ccccc2N(c2ccc(C#N)cc2-c2cccnc2N2c3ccccc3[Si](C)(C)c3ccccc32)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CASP3 P42574 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CRHR1 P34998 2/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
SLC40A1 Q9NP59 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDCD1 Q15116 1/20 0.31

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
SCHEMBL21397202 0.82 PGR (0.38) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21396643 0.81 CYP11B1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396793 0.81 USP30 (0.33) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21397045 0.81 KMT2A (0.41) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21396739 0.80 PDK2 (0.36) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21397030 0.76 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396717 0.75 EGLN1 (0.31) BRD4EGLN1USP30NPSR1
SCHEMBL19345046 0.75 IMPDH2 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19344981 0.72 KDM4E (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21396939 0.70 CYP11B2 (0.34) 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 BRD4 344/4885GABRA1 2479/4885GABRG2 3243/4885

“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.