SCHEMBL21397009

SCHEMBL21397009

N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cn2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP14 P54578 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TGFBR1 P36897 1/20 0.32
NFATC1 O95644 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21396983 0.91 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21397007 0.84 ALDH1A1 (0.39) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL21397005 0.83 ALDH1A1 (0.33) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21396942 0.83 ALDH1A1 (0.40) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21397067 0.83 ALDH1A1 (0.34) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL21397008 0.82 CYP11B1 (0.33) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21396761 0.81 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL17955024 0.80 ATM (0.39) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL19062206 0.78 KDM4E (0.47) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21396668 0.76 KDM4E (0.35) GABRG2GABRB3GABRA3ALDH1A1SMN1; 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 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.