SCHEMBL21687679

SCHEMBL21687679

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT3 P36888 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
RORC P51449 2/20 0.31
ENPP3 O14638 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL21688095 0.98 FLT3 (0.33) PTGER4ALDH1A1NPSR1TDP1FLT3
SCHEMBL21687895 0.93 PTGER4 (0.34) PTGER4ALDH1A1NPSR1TDP1FLT3
SCHEMBL21687900 0.92 PTGER4 (0.35) PTGER4ALDH1A1NPSR1TDP1HRH1
SCHEMBL21688075 0.92 ALDH1A1 (0.38) ALDH1A1NPSR1TDP1FLT3MEN1
SCHEMBL21687917 0.91 PTGER4 (0.33) PTGER4HRH1HTR6ALDH1A3
SCHEMBL21687471 0.91 PTGER4 (0.34) PTGER4ALDH1A1HRH1HTR6RORC
SCHEMBL21687714 0.91 ALDH1A3 (0.35) PTGER4ALDH1A1FLT3GABRA1GABRG2
SCHEMBL21688258 0.91 STS (0.33) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21687794 0.91 PTGER4 (0.33) PTGER4FLT3GABRA1GABRG2GABRB3
SCHEMBL21687472 0.90 PTGER4 (0.34) PTGER4ALDH1A1HRH1HTR6RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-12-14 US disclosed
US-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-06 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 (2 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-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNL2, CCNE2 PTGER4 553/4885ALDH1A1 616/4885NPSR1 4179/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 PTGER4 553/4885ALDH1A1 616/4885NPSR1 4179/4885

“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.