SCHEMBL21396972

SCHEMBL21396972

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
PTGER4 P35408 1/20 0.39
METAP2 P50579 1/20 0.36
TGFBR1 P36897 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PRKD1 Q15139 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
TDO2 P48775 1/20 0.32
PLAUR Q03405 1/20 0.32
ACVR1B P36896 1/20 0.32

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
SCHEMBL21397042 0.81 GRM5 (0.46) GRM5PTGER4PDE4APDE4BPDE4C
SCHEMBL29010411 0.81 PTGER4 (0.46) GRM5PTGER4TDO2
SCHEMBL21396969 0.80 KDM4E (0.36) GRM5PTGER4PDE4APDE4BPDE4C
SCHEMBL28550650 0.80 GRM5 (0.46) GRM5PTGER4TDO2
SCHEMBL21396956 0.79 PDE4A (0.37) GRM5PTGER4TGFBR1PDE4APDE4B
SCHEMBL21396646 0.79 PLAUR (0.36) GRM5PTGER4TGFBR1PDE4APDE4B
SCHEMBL21397044 0.79 SMN1; SMN2 (0.36) GRM5PTGER4TGFBR1PDE4APDE4B
SCHEMBL21397164 0.78 PTGER4 (0.37) GRM5PTGER4METAP2GSK3BDYRK1A
SCHEMBL21396980 0.78 MAPK1 (0.39) GRM5PTGER4PDE4APDE4BPDE4C
SCHEMBL21396970 0.77 GRM5 (0.46) GRM5PTGER4METAP2TGFBR1

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 GRM5 4577/4885PTGER4 2404/4885METAP2 4343/4885

“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.