SCHEMBL22563534

SCHEMBL22563534

N#Cc1c(F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 6/20 0.51
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SQOR Q9Y6N5 3/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
NTSR1 P30989 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL19942688 0.90 ADORA2A (0.50) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL27095782 0.90 ADORA2A (0.50) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL22563364 0.83 CYP11B1 (0.52) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL16122007 0.80 CYP11B1 (0.49) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL23341600 0.79 L3MBTL1 (0.50) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL10532893 0.79 NPC1 (0.53) L3MBTL1ADORA2AADORA1HPGDKDM4E
SCHEMBL22563435 0.78 ADORA1 (0.50) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL16122459 0.78 KDM4E (0.47) L3MBTL1ADORA2AADORA1MAPK1HPGD
SCHEMBL20843333 0.78 CYP11B2 (0.69) HPGDCYP11B1CYP11B2ALDH1A1KMT2A
SCHEMBL16122443 0.77 CYP11B1 (0.50) L3MBTL1ADORA2AADORA1MAPK1HPGD

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 L3MBTL1 3665/4885ADORA2A 4354/4885ADORA1 4564/4885

“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.