SCHEMBL21758724

SCHEMBL21758724

N#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ncccc2-n2c3ccccc3c3cc(-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
CYP1A2 P05177 7/20 0.36
CYP3A4 P08684 6/20 0.36
CLK4 Q9HAZ1 4/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 4/20 0.36
LMNA P02545 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2C19 P33261 2/20 0.36
PTGER4 P35408 1/20 0.35
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL21758731 0.97 ABCG2 (0.39) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL23347676 0.96 ABCG2 (0.39) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL23347950 0.94 ABCG2 (0.40) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL23348004 0.94 ABCG2 (0.41) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL23347677 0.93 ABCG2 (0.39) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL23347738 0.93 ABCG2 (0.36) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL23347951 0.92 ABCG2 (0.35) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL21758351 0.92 TDO2 (0.36) ABCG2CLK4PTGER4DDB1CRBN
SCHEMBL23347954 0.91 ABCG2 (0.39) ABCG2CYP1A2CYP3A4CLK4MEN1
SCHEMBL21758355 0.91 PTGER4 (0.40) ABCG2CYP1A2CYP3A4CLK4MEN1

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 853/4885CYP1A2 1455/4885CYP3A4 1908/4885

“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.