SCHEMBL21396956

SCHEMBL21396956

N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PLAUR Q03405 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
TGFBR1 P36897 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 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
SCHEMBL21396646 0.88 PLAUR (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21396980 0.84 MAPK1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21397043 0.84 PLAUR (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21397044 0.82 SMN1; SMN2 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29412292 0.81 IMPDH2 (0.43) DYRK1AKMT2AMAPTKDM4EMEN1
SCHEMBL19062227 0.81 IMPDH2 (0.43) DYRK1AKMT2AMAPTKDM4EMEN1
SCHEMBL21396953 0.80 IMPDH2 (0.34) GSK3BDYRK1AKMT2AKDM4ETGFBR1
SCHEMBL21396969 0.79 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21396972 0.79 GRM5 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL19909024 0.78 TRPA1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 PDE4A 4620/4885PDE4B 4420/4885PDE4C 4695/4885

“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.