SCHEMBL21397042

SCHEMBL21397042

N#Cc1cc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDO2 P48775 1/20 0.34
PGR P06401 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL18574642 0.85 KDM4E (0.47) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL15945858 0.84 KDM4E (0.46) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL21397026 0.82 PTGER4 (0.41) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL30499029 0.81 ATM (0.44) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL15469024 0.81 ATM (0.44) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL21396972 0.81 GRM5 (0.43) GRM5PTGER4TDO2PDE4APDE4B
SCHEMBL21396969 0.81 KDM4E (0.36) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL28550650 0.81 GRM5 (0.46) GRM5PTGER4TDO2
SCHEMBL21396685 0.81 GRM5 (0.48) GRM5PTGER4KDM4EATML3MBTL1
SCHEMBL18874148 0.81 KDM4E (0.46) GRM5PTGER4KDM4EATML3MBTL1

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 GRM5 4577/4885PTGER4 2404/4885KDM4E 955/4885

“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.