SCHEMBL31669

SCHEMBL31669

c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 2/20 0.41
POLB P06746 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL16449665 0.90 L3MBTL1 (0.47) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL16271062 0.90 L3MBTL1 (0.47) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL16449652 0.88 L3MBTL1 (0.43) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL30409979 0.88 L3MBTL1 (0.48) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL16449655 0.88 L3MBTL1 (0.48) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL21454024 0.87 ADAMTS5 (0.39) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL13296066 0.86 GAA (0.43) MEN1KMT2ALMNANPSR1MAPT
SCHEMBL16449653 0.85 ALDH1A1 (0.43) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL13833020 0.85 ALDH1A1 (0.43) L3MBTL1ADORA2AADORA1ADORA2BPOLB
SCHEMBL19038677 0.84 L3MBTL1 (0.41) L3MBTL1ADORA2AADORA1ADORA2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140054564-A1 ELECTROLUMINESCENT DEVICE USING ELECTROLUMINESCENT COMPOUND AS LUMINESCENT MATERIAL ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-02-27 US disclosed
US-20140054564-A1 ELECTROLUMINESCENT DEVICE USING ELECTROLUMINESCENT COMPOUND AS LUMINESCENT MATERIAL ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-02-27 US disclosed
US-8227798-B2 Compound for organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227798-B2 Compound for organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-07-24 US disclosed
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed
US-20100044695-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-02-25 US disclosed
US-20100044695-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-02-25 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-20100044695-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE RER1, EMC1, AOC3 L3MBTL1 2077/4885ADORA2A 825/4885ADORA1 123/4885

“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.