SCHEMBL21687772

SCHEMBL21687772

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(C#N)cc1-c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
IMPDH2 P12268 1/20 0.33
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPA1 O75762 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 1/20 0.32
SLC22A12 Q96S37 2/20 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
SCHEMBL21687785 0.95 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687890 0.93 USP8 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687867 0.92 PTGER4 (0.32) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21688256 0.88 RORC (0.32) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687913 0.86 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21688136 0.86 PTGER4 (0.32) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687984 0.85 CYP11B2 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687651 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687977 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL21687556 0.84 CYP1A2 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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 ALDH1A1 616/4885SMN1; SMN2 4039/4885MEN1 669/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 ALDH1A1 616/4885SMN1; SMN2 4039/4885MEN1 669/4885

“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.