SCHEMBL21395910

SCHEMBL21395910

N#Cc1cccc(-c2ccc3c4cc(-c5cnc6c(ccc7cccnc76)c5)ccc4n(-c4ccccc4)c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.40
PDE4A P27815 4/20 0.40
PDE4C Q08493 4/20 0.40
NEK1 Q96PY6 1/20 0.40
ADORA2A P29274 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
PDE4B Q07343 2/20 0.37
PARP1 P09874 1/20 0.37
GRM5 P41594 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NTRK1 P04629 2/20 0.36
PIK3CA P42336 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL21395917 0.93 PARP1 (0.42) PARP1CYP17A1CYP11B1CYP11B2PIK3CA
SCHEMBL21395912 0.87 TRPA1 (0.41) PDE4DADORA2APIK3CAGABRA1GABRG2
SCHEMBL21395914 0.87 PDE4D (0.40) PDE4DPDE4APDE4CADORA2AIRAK4
SCHEMBL21396231 0.85 PDE4D (0.43) PDE4DPDE4APDE4CNEK1ADORA2A
SCHEMBL21395913 0.80 FABP1 (0.38) PDE4DPDE4APDE4CPDE4BPARP1
SCHEMBL16455807 0.80 FABP1 (0.39) PDE4DPDE4APDE4CPDE4BCYP17A1
SCHEMBL15248391 0.79 IRAK4 (0.39) ADORA2AIRAK4GRM5GABRA1GABRG2
SCHEMBL16456223 0.79 FABP1 (0.41) PDE4DPDE4APDE4CGRM5PIK3CA
SCHEMBL21396065 0.79 CYP1A2 (0.46) ADORA2AIRAK4GABRA1GABRG2GABRB3
SCHEMBL21395955 0.79 CYP1A2 (0.44) ADORA2AIRAK4GABRA1GABRG2GABRB3

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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 PDE4D 3994/4885PDE4A 4260/4885PDE4C 3862/4885

“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.