SCHEMBL21965598

SCHEMBL21965598

c1ccc(-c2ccc3nc4n(-c5ccccc5)c5ccccc5n4c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.46
ADORA1 P30542 3/20 0.46
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
AVPR1A P37288 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
BACE1 P56817 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL22662016 0.99 ADORA2B (0.45) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662015 0.97 ADORA2B (0.44) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662205 0.96 ADORA2B (0.43) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22357652 0.95 ADORA2B (0.42) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662003 0.94 ADORA2B (0.42) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662014 0.93 ESR1 (0.43) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662009 0.93 ESR1 (0.42) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662010 0.92 ESR1 (0.44) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662005 0.92 MAPK1 (0.42) ADORA2BADORA1ESR1ESR2MAPK1
SCHEMBL22662006 0.91 ESR1 (0.41) ADORA2BADORA1ESR1ESR2MAPK1

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-20200144512-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-05-07 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-20200144512-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES GDA, SOD1, GALC ADORA2B 1129/4885ADORA1 1375/4885ESR1 487/4885

“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.