SCHEMBL21687735

SCHEMBL21687735

N#Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(-n4c5ccccc5c5cc(C#N)ccc54)c3)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PTPN5 P54829 1/20 0.34
ADORA2A P29274 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
PTGER4 P35408 1/20 0.34
RPS6KB1 P23443 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 3/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL21687637 0.97 ALDH1A3 (0.37) ALDH1A3IRAK4PTPN5ADORA2AGABRA1
SCHEMBL21688217 0.97 ATM (0.38) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL21688202 0.96 KDM4E (0.37) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL21687742 0.96 ATM (0.37) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL21688081 0.96 KDM4E (0.39) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL17463451 0.94 ATM (0.38) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL21687715 0.94 KDM4E (0.37) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL21687988 0.93 KDM4E (0.39) ALDH1A3KDM4EATML3MBTL1IRAK4
SCHEMBL21688025 0.93 ALDH1A3 (0.37) ALDH1A3ATMIRAK4PTPN5ADORA2A
SCHEMBL21687466 0.92 GABRA1 (0.37) ALDH1A3IRAK4ADORA2AGABRA1GABRG2

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 ALDH1A3 1446/4885KDM4E 2977/4885ATM 1151/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 ALDH1A3 1446/4885KDM4E 2977/4885ATM 1151/4885

“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.