SCHEMBL22760745

SCHEMBL22760745

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)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
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
CLK4 Q9HAZ1 3/20 0.35
GRM5 P41594 2/20 0.34
ALDH1A3 P47895 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 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
SCHEMBL21546796 1.00 ADORA2A (0.37) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL21546799 0.93 ADORA2A (0.37) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL21546483 0.93 ADORA2A (0.37) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL22760656 0.93 ADORA2A (0.39) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL21546457 0.92 ADORA2A (0.42) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL21414277 0.91 KDM4E (0.37) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL21546840 0.90 ADORA2A (0.37) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL22760653 0.90 ADORA2A (0.35) ADORA2AADORA1GABRA1GABRG2GABRB3
SCHEMBL18347482 0.89 KDM4E (0.42) ADORA2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL21546763 0.88 ADORA2A (0.39) ADORA2AADORA1GABRA1GABRG2GABRB3

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 2 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

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 4552/4885GABRA1 2654/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADORA2A 3953/4885ADORA1 4552/4885GABRA1 2654/4885

“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.