SCHEMBL22760804

SCHEMBL22760804

N#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.46
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA1 P14867 1/20 0.43
ADORA1 P30542 4/20 0.42
ADORA2A P29274 4/20 0.42
ADORA2B P29275 3/20 0.40
IDO1 P14902 1/20 0.39
MYC P01106 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
GRM5 P41594 2/20 0.36
MAPK1 P28482 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
SCHEMBL22562366 0.93 ALDH1A3 (0.41) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL21546805 0.91 ALDH1A3 (0.46) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562385 0.90 ALDH1A3 (0.39) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562394 0.90 MYC (0.42) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562523 0.90 MEN1 (0.40) ALDH1A3ADORA1ADORA2AMEN1ALDH1A1
SCHEMBL21546742 0.90 ADORA1 (0.42) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL21547044 0.88 ALDH1A3 (0.44) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL21547016 0.88 MAP4K4 (0.40) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22760790 0.88 CYP1A2 (0.46) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL22158414 0.87 HPGD (0.43) ADORA1ADORA2AADORA2BMEN1KMT2A

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 ALDH1A3 39/4885GABRG2 1767/4885GABRB3 1915/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885GABRG2 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.