SCHEMBL21396741

SCHEMBL21396741

N#Cc1cccc(-c2cccc(-c3ncccc3-n3c4ccccc4c4ccccc43)n2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.39
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPK14 Q16539 1/20 0.33
RPS6KB1 P23443 1/20 0.31
ROCK1 Q13464 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
SCHEMBL21396779 0.89 LRRK2 (0.34) TGFBR1MAPK14RPS6KB1ROCK1
SCHEMBL21396745 0.85 GABRA1 (0.35) TGFBR1GABRA1GABRG2GABRB3GABRA3
SCHEMBL21396957 0.85 TGFBR1 (0.34) TGFBR1RPS6KB1ROCK1
SCHEMBL21396659 0.83 SMN1; SMN2 (0.35)
SCHEMBL21397052 0.83 KDM4E (0.35) GABRA1GABRG2GABRB3GABRA3GSK3B
SCHEMBL21396943 0.81 HTT (0.39) TGFBR1GABRA1GABRG2GABRB3GABRA3
SCHEMBL21396743 0.81 HTT (0.39) TGFBR1GABRA1GABRG2GABRB3GABRA3
SCHEMBL21397148 0.80 GRM5 (0.34) TGFBR1GSK3BDYRK1A
SCHEMBL21397023 0.80 GRM5 (0.34) TGFBR1GSK3BDYRK1A
SCHEMBL21929600 0.79 PDE4B (0.39) RPS6KB1ROCK1

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 TGFBR1 3412/4885GABRA1 2479/4885GABRG2 3243/4885

“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.