SCHEMBL22563553

SCHEMBL22563553

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
ADORA1 P30542 4/20 0.42
ADORA2A P29274 4/20 0.42
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
CYP2D6 P10635 4/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL22563554 0.97 ALDH1A3 (0.44) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL21278865 0.97 ALDH1A3 (0.46) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL21278867 0.94 ALDH1A3 (0.43) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL22563682 0.93 ALDH1A3 (0.39) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL19909399 0.92 ALDH1A3 (0.47) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL22563380 0.92 ABCG2 (0.44) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL22563575 0.92 ADORA1 (0.41) ADORA1ADORA2ACYP1A2CYP3A4MEN1
SCHEMBL22563446 0.91 ABCG2 (0.43) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL22563676 0.90 ALDH1A3 (0.37) ALDH1A3ADORA1ADORA2ACYP1A2CYP3A4
SCHEMBL21278720 0.90 MEN1 (0.40) ALDH1A3ADORA1ADORA2ACYP1A2CYP3A4

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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 (1 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ALDH1A3 91/4885GABRA1 1458/4885GABRG2 1079/4885

“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.