SCHEMBL22563378

SCHEMBL22563378

Cc1cc(C)nc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)c(C#N)c(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
HSD11B1 P28845 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 2/20 0.34
PGR P06401 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
MAP4K4 O95819 1/20 0.32
GAA P10253 1/20 0.32
CRHR1 P34998 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL22563382 0.94 ABCG2 (0.40) CHEK1ABCG2HSD11B1HRH4PIK3CD
SCHEMBL22563675 0.92 ABCG2 (0.34) CHEK1ABCG2IRAK4
SCHEMBL23487305 0.92 NPSR1 (0.37) CHEK1ABCG2ALDH1A1KMT2AMEN1
SCHEMBL23487667 0.91 ABCG2 (0.39) ABCG2ALDH1A1TSHRRECQLCRHR1
SCHEMBL22563573 0.91 KDM4E (0.40) ABCG2ALDH1A1
SCHEMBL19942697 0.91 CHEK1 (0.40) CHEK1ABCG2HRH4PIK3CDPIK3CA
SCHEMBL19909199 0.90 CHEK1 (0.41) CHEK1HSD11B1HRH4PIK3CDPIK3CA
SCHEMBL23487784 0.90 ABCG2 (0.45) ABCG2HRH4ALDH1A1TSHRKMT2A
SCHEMBL23487302 0.88 KDM5B (0.40) ABCG2ALDH1A1KMT2AIRAK4MEN1
SCHEMBL23487617 0.87 KDM4E (0.38) ABCG2ALDH1A1

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 CHEK1 2408/4885ABCG2 2612/4885HSD11B1 2836/4885

“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.