SCHEMBL21688024

SCHEMBL21688024

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.37
PGR P06401 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
G6PD P11413 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RARG P13631 1/20 0.34
MAP4K4 O95819 1/20 0.33
PTPN5 P54829 1/20 0.33
TDP2 O95551 1/20 0.33
CYP17A1 P05093 1/20 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
SCHEMBL21687631 0.98 PGR (0.37) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21687834 0.98 ALDH1A3 (0.38) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21687619 0.96 KDM4E (0.38) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21687694 0.94 KDM4E (0.36) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21687747 0.94 KDM4E (0.36) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21687832 0.93 ALDH1A3 (0.34) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21688031 0.92 G6PD (0.36) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL17463388 0.91 G6PD (0.37) ALDH1A3PGRGABRA1GABRG2GABRB3
SCHEMBL21687703 0.91 G6PD (0.37) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL21687632 0.91 PGR (0.38) ALDH1A3PGRGABRA1GABRG2GABRB3

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 1446/4885PGR 1295/4885GABRA1 3928/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 ALDH1A3 1446/4885PGR 1295/4885GABRA1 3928/4885

“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.