SCHEMBL21546600

SCHEMBL21546600

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)cc4C#N)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
ALDH1A3 P47895 1/20 0.36
PRKDC P78527 1/20 0.36
CHEK1 O14757 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MAP4K4 O95819 1/20 0.35
PTPN5 P54829 1/20 0.35
ADORA2A P29274 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ADRA2C P18825 1/20 0.34
PRF1 P14222 1/20 0.34
BRD4 O60885 1/20 0.34
ENPP1 P22413 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL21546588 0.97 ALDH1A3 (0.37) PGRALDH1A3PRKDCCHEK1IRAK4
SCHEMBL21546631 0.96 ALDH1A3 (0.38) PGRALDH1A3CHEK1IRAK4MAP4K4
SCHEMBL22760914 0.95 ALDH1A3 (0.41) PGRALDH1A3CHEK1PTPN5ADORA2A
SCHEMBL22760909 0.93 ALDH1A3 (0.40) PGRALDH1A3CHEK1PTPN5ADORA2A
SCHEMBL22761014 0.93 ALDH1A3 (0.36) PGRALDH1A3CHEK1IRAK4MAP4K4
SCHEMBL22760662 0.93 ALDH1A3 (0.39) PGRALDH1A3CHEK1IRAK4MAP4K4
SCHEMBL21546905 0.93 ADORA2A (0.38) ADORA2AADRA2CPRF1BRD4ENPP1
SCHEMBL22761047 0.92 MCHR1 (0.37) PGRALDH1A3BRD4CLK4
SCHEMBL21546590 0.92 STS (0.37) PGRALDH1A3CHEK1ADORA2AADRA2C
SCHEMBL22761151 0.92 PGR (0.37) PGRALDH1A3CHEK1IRAK4MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM PGR 3398/4885ALDH1A3 39/4885PRKDC 3612/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PGR 3398/4885ALDH1A3 39/4885PRKDC 3612/4885

“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.