SCHEMBL21396745

SCHEMBL21396745

N#Cc1cccc(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)n2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
TGFBR1 P36897 4/20 0.34
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPK14 Q16539 1/20 0.34
GRM5 P41594 3/20 0.34
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
PDE4D Q08499 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL21397015 0.89 LRRK2 (0.35) MAPK14LRRK2SLC22A12DRD2HTR2A
SCHEMBL21396961 0.85 GRM5 (0.35) GABRA1GABRG2GABRB3GABRA3TGFBR1
SCHEMBL21396741 0.85 TGFBR1 (0.39) GABRA1GABRG2GABRB3GABRA3TGFBR1
SCHEMBL21396660 0.85 CYP11B2 (0.33) MAPK14LRRK2SLC22A12DRD2HTR2A
SCHEMBL21397049 0.84 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3GSK3B
SCHEMBL21396743 0.80 HTT (0.39) GABRA1GABRG2GABRB3GABRA3TGFBR1
SCHEMBL21396943 0.80 HTT (0.39) GABRA1GABRG2GABRB3GABRA3TGFBR1
SCHEMBL21396959 0.79 GRM5 (0.34) GSK3BDYRK1AGRM5
SCHEMBL21397149 0.79 GRM5 (0.34) GSK3BDYRK1AGRM5
SCHEMBL19062207 0.78 IMPDH2 (0.43) CA1CA2IMPDH2

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 GABRA1 2479/4885GABRG2 3243/4885GABRB3 2616/4885

“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.