SCHEMBL21292583

SCHEMBL21292583

Nc1nc2c(c3ccccc13)Cc1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.64
BCHE P06276 4/20 0.64
ADORA1 P30542 2/20 0.57
ADORA2A P29274 1/20 0.57
KDR P35968 2/20 0.50
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK8 P49336 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
BACE1 P56817 1/20 0.47
EGFR P00533 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
SCHEMBL7049426 0.84 BCHE (0.65) ACHEBCHEADORA1ADORA2ADYRK1A
Hydrochloric Acid SCHEMBL8059101 0.83 BCHE (0.63) ACHEBCHEADORA1ADORA2ADYRK1A
SCHEMBL18416147 0.82 ACHE (0.55) ACHEBCHEADORA1ADORA2AKDR
SCHEMBL2763289 0.81 ACHE (0.58) ACHEBCHEADORA1ADORA2AKDR
SCHEMBL2299077 0.79 ADORA1 (0.50) ACHEBCHEADORA1ADORA2AKDR
SCHEMBL12043418 0.78 ACHE (1.00) ACHEBCHEADORA1ADORA2ABACE1
SCHEMBL18416144 0.75 ACHE (0.68) ACHEBCHEADORA1ADORA2ABACE1
SCHEMBL18806051 0.75 EGFR (0.49) ACHEBCHEADORA1ADORA2ABACE1
SCHEMBL647673 0.74 ACHE (0.50) ACHEBCHEADORA1ADORA2AKDR
SCHEMBL30181084 0.74 ACHE (0.50) ACHEBCHEADORA1ADORA2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472800-B2 Organic compound and organic electroluminescent device comprising the same DOOSAN SOLUS CO., LTD. (KR) 2022-10-18 US disclosed
US-20190263806-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DOOSAN CORPORATION (KR) 2019-08-29 US disclosed
US-20190263806-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DOOSAN CORPORATION (KR) 2019-08-29 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 (2 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-11472800-B2 Organic compound and organic electroluminescent device comprising the same VDAC1, OR10J3, VDAC2 ACHE 194/4885BCHE 1398/4885ADORA1 3961/4885
US-20190263806-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, OR10J3, VDAC2 ACHE 194/4885BCHE 1398/4885ADORA1 3961/4885

“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.