SCHEMBL21396980

SCHEMBL21396980

N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAUR Q03405 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
GRM5 P41594 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL21396969 0.85 KDM4E (0.36) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21396956 0.84 PDE4A (0.37) MAPK1ALDH1A1HPGDPLAURGSK3B
SCHEMBL21396952 0.83 ALDH1A1 (0.39) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21397043 0.82 PLAUR (0.37) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21022651 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20923751 0.81 LMNA (0.39) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20923227 0.81 LMNA (0.39) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20923737 0.81 LMNA (0.39) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20923232 0.81 LMNA (0.39) MAPK1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL19062211 0.81 KDM4E (0.47) MAPK1ALDH1A1HPGDLMNASMN1; SMN2

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 MAPK1 1528/4885ALDH1A1 825/4885HPGD 2339/4885

“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.