SCHEMBL21546840

SCHEMBL21546840

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ALDH1A3 P47895 1/20 0.37
PGR P06401 2/20 0.36
MAP4K4 O95819 1/20 0.36
PTPN5 P54829 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
ADORA2B P29275 2/20 0.35
CHEK1 O14757 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GRM5 P41594 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
IDO1 P14902 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
SCHEMBL21546684 0.95 MAP4K4 (0.39) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL21414294 0.95 PGR (0.37) PGR
SCHEMBL21414288 0.95 MAP4K4 (0.39) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL21547017 0.94 MAP4K4 (0.36) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL22760894 0.93 MAP4K4 (0.38) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL22760656 0.93 ADORA2A (0.39) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL21546457 0.92 ADORA2A (0.42) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL21547016 0.92 MAP4K4 (0.40) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL21546482 0.92 ADORA2A (0.38) ADORA2AADORA1ALDH1A3PGRMAP4K4
SCHEMBL21414169 0.91 PGR (0.35) PGRGABRA1GABRG2GABRB3GABRA5

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 ADORA2A 3953/4885ADORA1 4552/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADORA2A 3953/4885ADORA1 4552/4885ALDH1A3 39/4885

“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.