SCHEMBL21546928

SCHEMBL21546928

N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
ALDH1A3 P47895 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
MAP4K4 O95819 1/20 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
ADORA2B P29275 3/20 0.38
CYP1A2 P05177 6/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
LMNA P02545 3/20 0.37

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
SCHEMBL22760703 0.97 MAP4K4 (0.40) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL21546482 0.96 ADORA2A (0.38) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL21546768 0.96 PTGER4 (0.38) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL21546441 0.96 ADORA1 (0.42) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL22760894 0.95 MAP4K4 (0.38) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL21414130 0.94 TSPO (0.36) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL21546763 0.93 ADORA2A (0.39) ADORA2AADORA1ALDH1A3MAP4K4PTPN5
SCHEMBL21546457 0.92 ADORA2A (0.42) ADORA2AADORA1ALDH1A3MAP4K4PTPN5
SCHEMBL21547025 0.92 MAP4K4 (0.43) ADORA2AADORA1ALDH1A3GRIA2GRIA4
SCHEMBL19909505 0.92 AURKA (0.40) ADORA2AADORA1ALDH1A3MAP4K4PTPN5

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.