SCHEMBL22563386

SCHEMBL22563386

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2C#N)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
ADORA1 P30542 7/20 0.36
ADORA2A P29274 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
SQOR Q9Y6N5 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
PIM1 P11309 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
ABL1 P00519 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
SCHEMBL22563383 0.97 SQOR (0.35) ABCG2ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL21279086 0.97 ABCG2 (0.39) ABCG2ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL21279092 0.94 ABCG2 (0.37) ABCG2ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL19942695 0.94 ABCG2 (0.36) ABCG2ADORA1ADORA2AMEN1KMT2A
SCHEMBL19909201 0.93 MYC (0.41) ABCG2ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL19942696 0.91 PTGER4 (0.35) ABCG2MAPK1KDM4EMEN1KMT2A
SCHEMBL19909198 0.90 MYC (0.39) ABCG2ADORA1ADORA2AL3MBTL1MAPK1
SCHEMBL23487786 0.90 GABRG2 (0.42) ADORA1ADORA2AL3MBTL1MAPK1SQOR
SCHEMBL22865145 0.89 ABCG2 (0.36) ABCG2MAPK1KDM4EMEN1KMT2A
SCHEMBL21278846 0.89 ABCG2 (0.40) ABCG2KDM4EHPGDMEN1KMT2A

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 ABCG2 2612/4885ADORA1 4564/4885ADORA2A 4354/4885

“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.