SCHEMBL21396692

SCHEMBL21396692

C[Si](C)(c1ccc(-n2c3ccccc3c3ccccc32)nc1)c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
IMPDH2 P12268 2/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
GRK6 P43250 1/20 0.32
RPS6KB1 P23443 1/20 0.31
ROCK1 Q13464 1/20 0.31
PLAUR Q03405 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
GRM4 Q14833 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21396698 0.85 PTGER4 (0.34) PTGER4IMPDH2KDM4EL3MBTL1ALDH1A1
SCHEMBL21396699 0.81 PTGER4 (0.36) PTGER4IMPDH2KDM4EL3MBTL1ALDH1A1
SCHEMBL21396977 0.80 ALDH1A1 (0.40) PTGER4IMPDH2KDM4EL3MBTL1ALDH1A1
SCHEMBL21396711 0.79 USP14 (0.34) PTGER4IMPDH2KDM4EL3MBTL1ATM
SCHEMBL21397071 0.77 ALDH1A1 (0.41) PTGER4KDM4EL3MBTL1ALDH1A1PLAUR
SCHEMBL21397187 0.75 HTR2A (0.36) PTGER4IMPDH2HTTSLC22A12
SCHEMBL21397073 0.75 CYP11B1 (0.41) PTGER4KDM4EL3MBTL1ALDH1A1
SCHEMBL21397120 0.75 SLC22A12 (0.40) PTGER4ALDH1A1MAPTSLC22A12
SCHEMBL21397072 0.74 NPSR1 (0.36) PTGER4KDM4EALDH1A1MAPTPLAUR
SCHEMBL21397068 0.74 ALDH1A1 (0.35) PTGER4ALDH1A1SMN1; SMN2

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 PTGER4 2404/4885IMPDH2 2606/4885KDM4E 955/4885

“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.