SCHEMBL21395914

SCHEMBL21395914

N#Cc1cccc(-c2ccc3c4cc(-c5ccc(-c6cc7cccnc7c7ncccc67)cc5)ccc4n(-c4ccccc4)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.40
PDE4A P27815 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4B Q07343 2/20 0.37
ADORA2A P29274 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GRM5 P41594 2/20 0.35
ALDH1A3 P47895 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
FABP1 P07148 1/20 0.35
MAP4K4 O95819 1/20 0.34

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
SCHEMBL21395913 0.94 FABP1 (0.38) PDE4DPDE4APDE4CPDE4BABCG2
SCHEMBL21396160 0.90 FABP1 (0.40) PDE4DPDE4APDE4CPDE4BABCG2
SCHEMBL21395915 0.88 FABP1 (0.38) PDE4DPDE4APDE4CABCG2FABP1
SCHEMBL21395910 0.87 PDE4D (0.40) PDE4DPDE4APDE4CPDE4BADORA2A
SCHEMBL15248219 0.82 KDM4E (0.44) ADORA2ACLK4ALDH1A3IRAK4MAP4K4
SCHEMBL16456283 0.82 TDP2 (0.37) PDE4DPDE4APDE4CPDE4BABCG2
SCHEMBL21395917 0.81 PARP1 (0.42) FABP1
SCHEMBL16558156 0.81 FABP1 (0.41) PDE4DPDE4APDE4CABCG2FABP1
SCHEMBL16561058 0.81 FABP1 (0.41) PDE4DPDE4APDE4CPDE4BABCG2
SCHEMBL21395955 0.81 CYP1A2 (0.44) ADORA2AABCG2CLK4ALDH1A3IRAK4

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.