SCHEMBL21546689

SCHEMBL21546689

N#Cc1cccc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cc2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
ADORA2A P29274 2/20 0.38
PTPN5 P54829 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ADRA2C P18825 1/20 0.38
AKT1 P31749 1/20 0.38
CHEK1 O14757 1/20 0.38
ADORA1 P30542 1/20 0.37
PGR P06401 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36

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) ALDH1A3XDHSLC22A12ADRA2CCHEK1
SCHEMBL22761151 0.95 PGR (0.37) ALDH1A3PTPN5XDHSLC22A12ADRA2C
SCHEMBL22760961 0.94 ALDH1A3 (0.39) ALDH1A3ADORA2APTPN5XDHSLC22A12
SCHEMBL22760964 0.93 ALDH1A3 (0.37) ALDH1A3ADORA2APTPN5ADRA2CAKT1
SCHEMBL21546941 0.93 ALDH1A3 (0.37) ALDH1A3XDHSLC22A12ADRA2CCHEK1
SCHEMBL21546667 0.92 PGR (0.37) ALDH1A3CHEK1PGRALDH1A1CYP1A2
SCHEMBL22760914 0.92 ALDH1A3 (0.41) ALDH1A3ADORA2APTPN5XDHSLC22A12
SCHEMBL22760959 0.92 TRPA1 (0.41) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL22760899 0.91 CYP1A2 (0.46) ALDH1A3ADORA2AADORA1MEN1ALDH1A1
SCHEMBL21546690 0.90 ALDH1A3 (0.42) ALDH1A3ADORA2APTPN5XDHSLC22A12

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 39/4885ADORA2A 3953/4885PTPN5 4550/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885ADORA2A 3953/4885PTPN5 4550/4885

“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.