SCHEMBL22563435

SCHEMBL22563435

N#Cc1c(F)ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.50
ADORA2A P29274 7/20 0.50
HPGD P15428 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPK1 P28482 1/20 0.50
SQOR Q9Y6N5 5/20 0.48
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL19942595 0.88 ADORA1 (0.45) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL6989208 0.81 ADORA1 (0.43) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL27991888 0.79 NPC1 (0.44) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL22563534 0.78 L3MBTL1 (0.51) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL16122443 0.78 CYP11B1 (0.50) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL23341600 0.77 L3MBTL1 (0.50) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL20911800 0.77 HPGD (0.50) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL16122460 0.76 ADORA1 (0.50) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL22563490 0.76 CYP11B1 (0.50) ADORA1ADORA2AHPGDL3MBTL1KDM4E
SCHEMBL16122093 0.75 CYP11B1 (0.52) ADORA1ADORA2AHPGDL3MBTL1KDM4E

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 ADORA1 4564/4885ADORA2A 4354/4885HPGD 1547/4885

“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.