SCHEMBL22276547

SCHEMBL22276547

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5sc6ccccc6c5c5ccccc45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ GPR3 P46089 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ F9 P00740 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL20064186 0.99 ADORA2A (0.37) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL31625319 0.92 NR1I3 (0.43) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL24759069 0.91 MEN1 (0.39) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL27253566 0.89 PIM3 (0.39) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL22879774 0.89 F9 (0.41) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL20064193 0.88 F9 (0.40) ADORA2AADORA1GPR3L3MBTL1ALDH1A1
SCHEMBL23517740 0.87 ADORA2A (0.37) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL21148195 0.87 LIMK1 (0.41) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL25000307 0.87 LIMK1 (0.41) ADORA2AADORA1GPR3L3MBTL1MEN1
SCHEMBL23517735 0.86 ADORA2A (0.36) ADORA2AADORA1GPR3L3MBTL1MEN1

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-20220131081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-04-28 — — US disclosed
WO-2020153733-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-07-30 — — WO 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-20220131081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, TMEM109 ADORA2A 3914/4885ADORA1 2425/4885GPR3 4293/4885

“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.

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