SCHEMBL21546941

SCHEMBL21546941

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(C#N)c(-c5cccc(C#N)c5)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.37
PGR P06401 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAP4K4 O95819 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ADRA2C P18825 1/20 0.35
CHEK1 O14757 1/20 0.35
PRF1 P14222 1/20 0.35
BRD4 O60885 1/20 0.35
CLK4 Q9HAZ1 2/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL22760967 0.96 ALDH1A3 (0.39) ALDH1A3PGRIRAK4MAP4K4XDH
SCHEMBL21546939 0.95 ALDH1A3 (0.37) ALDH1A3PGRIRAK4MAP4K4ADRA2C
SCHEMBL21546689 0.93 ALDH1A3 (0.42) ALDH1A3PGRXDHSLC22A12ADRA2C
SCHEMBL22761151 0.93 PGR (0.37) ALDH1A3PGRIRAK4MAP4K4XDH
SCHEMBL22761014 0.92 ALDH1A3 (0.36) ALDH1A3PGRIRAK4MAP4K4XDH
SCHEMBL22760961 0.92 ALDH1A3 (0.39) ALDH1A3PGRIRAK4MAP4K4XDH
SCHEMBL22760955 0.90 PGR (0.39) ALDH1A3PGRMAP4K4XDHSLC22A12
SCHEMBL21546811 0.90 STS (0.38) ALDH1A3PGRIRAK4MAP4K4ADRA2C
SCHEMBL21547069 0.90 ADRA2C (0.38) ALDH1A3ADRA2CPRF1BRD4CLK4
SCHEMBL21546662 0.90 AR (0.41) ALDH1A3PGRBRD4CLK4ALDH1A1

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 ALDH1A3 39/4885PGR 3398/4885IRAK4 2925/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885PGR 3398/4885IRAK4 2925/4885

“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.