SCHEMBL21396669

SCHEMBL21396669

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc(-n2c3ccccc3c3ccccc32)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A9 P48067 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 1/20 0.33
IMPDH2 P12268 1/20 0.33
RPS6KB1 P23443 1/20 0.32
ROCK1 Q13464 1/20 0.32
KCNH2 Q12809 1/20 0.32
PLAUR Q03405 1/20 0.32
PTGES O14684 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21396977 0.82 ALDH1A1 (0.40) CNR2ALDH1A1NPSR1TDP1PTGER4
SCHEMBL21397071 0.81 ALDH1A1 (0.41) CNR2SLC6A9ALDH1A1NPSR1TDP1
SCHEMBL19062208 0.81 CA1 (0.44) SMN1; SMN2HIF1AALDH1A1CA1CA2
SCHEMBL24927629 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HIF1ASLC6A9ALDH1A1CA1
SCHEMBL19755314 0.80 CA1 (0.37) SMN1; SMN2HIF1AALDH1A1CA1CA2
SCHEMBL19755307 0.80 KDM4E (0.43) SMN1; SMN2HIF1AALDH1A1CA1CA2
SCHEMBL21396672 0.80 CNR2 (0.37) CNR2ALDH1A1NPSR1TDP1PTGER4
SCHEMBL19062219 0.79 CA1 (0.43) SMN1; SMN2HIF1AALDH1A1CA1CA2
SCHEMBL22378596 0.79 KDM4E (0.42) SMN1; SMN2HIF1AALDH1A1CA1CA2
SCHEMBL19755269 0.79 CA1 (0.36) SMN1; SMN2HIF1AALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 CNR2 3596/4885SMN1; SMN2 3762/4885HIF1A 3513/4885

“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.