SCHEMBL22157355

SCHEMBL22157355

N#Cc1c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2cc(-c3ccc(-c4ccccc4)nc3)ccc2c2ccc(-c3ccc(-c4ccccc4)nc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A9 P48067 1/20 0.33
SQOR Q9Y6N5 2/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22157331 0.97 SQOR (0.33) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22157335 0.93 ADORA2A (0.33) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22155974 0.92 NPSR1 (0.35) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22158524 0.89 KDM4E (0.33) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22157242 0.89 SMN1; SMN2 (0.33) ADORA2AADORA1SQORSMN1; SMN2HIF1A
SCHEMBL22156617 0.89 TGFBR1 (0.34) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22158522 0.89 NPSR1 (0.38) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL21898755 0.87 KDM4E (0.34) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22157327 0.87 ADORA1 (0.36) ADORA2AADORA1NPSR1KDM4EHPGD
SCHEMBL22156588 0.86 PDE9A (0.33) ADORA2AADORA1SQORSMN1; SMN2HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 ADORA2A 4520/4885ADORA1 4534/4885NPSR1 2592/4885

“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.