SCHEMBL22760879

SCHEMBL22760879

N#Cc1cccc(-c2ccc(F)c(C#N)c2F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
GABRG2 P18507 5/20 0.45
GABRB3 P28472 5/20 0.45
GABRA5 P31644 5/20 0.45
GABRA3 P34903 5/20 0.45
CLK4 Q9HAZ1 1/20 0.44
ADORA1 P30542 3/20 0.42
ADORA2A P29274 2/20 0.42
PDK2 Q15119 1/20 0.41
ADORA2B P29275 2/20 0.40
CHEK1 O14757 1/20 0.40
PGR P06401 1/20 0.39
IDO1 P14902 2/20 0.39
NOTUM Q6P988 1/20 0.39
MAOB P27338 1/20 0.39
ACLY P53396 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL27792879 0.87 ADRA2C (0.49) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL19579269 0.86 CLK4 (0.52) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL19579216 0.84 ADRA2C (0.47) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL19737623 0.83 ADORA1 (0.48) ADORA1ADORA2AADORA2B
SCHEMBL2569304 0.81 ADRA2C (0.54) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL6989208 0.81 ADORA1 (0.43) ADORA1ADORA2AADORA2B
SCHEMBL19579116 0.79 ADRA2C (0.54) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL19579266 0.79 ADRA2C (0.54) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL21546458 0.79 CLK4 (0.45) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL19579319 0.78 ADRA2C (0.53) ADRA2CGABRG2GABRB3GABRA5GABRA3

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 ADRA2C 3840/4885GABRG2 1767/4885GABRB3 1915/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADRA2C 3840/4885GABRG2 1767/4885GABRB3 1915/4885

“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.