SCHEMBL21758731

SCHEMBL21758731

N#Cc1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ncccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.39
CLK4 Q9HAZ1 3/20 0.37
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCB1 P08183 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 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
SCHEMBL21758724 0.97 ABCG2 (0.39) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23347677 0.96 ABCG2 (0.39) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23347954 0.94 ABCG2 (0.39) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23348006 0.93 CLK4 (0.43) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23347676 0.93 ABCG2 (0.39) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23347825 0.92 CLK4 (0.36) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23347736 0.92 ABCG2 (0.35) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL21758359 0.92 GABRA1 (0.36) CLK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL23347950 0.91 ABCG2 (0.40) ABCG2CLK4CYP1A2CYP3A4MEN1
SCHEMBL23348004 0.91 ABCG2 (0.41) ABCG2CLK4CYP1A2CYP3A4MEN1

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
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 ABCG2 853/4885CLK4 3016/4885CYP1A2 1455/4885

“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.