SCHEMBL22016732

SCHEMBL22016732

N#Cc1cc(C#N)cc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.38
PGR P06401 1/20 0.34
PTGER4 P35408 1/20 0.34
METAP2 P50579 1/20 0.34
ALDH1A3 P47895 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
DNM1 Q05193 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTPN5 P54829 1/20 0.33
ADORA2A P29274 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL22017000 1.00 TSPO (0.38) TSPOPGRPTGER4METAP2ALDH1A3
SCHEMBL22016728 0.94 ALDH1A3 (0.41) TSPOPGRALDH1A3KDM4EMAP4K4
SCHEMBL22016733 0.94 ALDH1A3 (0.41) TSPOPGRALDH1A3KDM4EMAP4K4
SCHEMBL22458185 0.92 L3MBTL1 (0.45) TSPOPGRPTGER4PDE9APDE1C
SCHEMBL22016999 0.92 PTGER4 (0.39) TSPOPTGER4ALDH1A3ATMMAP4K4
SCHEMBL22454880 0.92 PTGER4 (0.39) TSPOPTGER4ALDH1A3ATMMAP4K4
SCHEMBL22016998 0.92 PTGER4 (0.39) TSPOPTGER4ALDH1A3ATMMAP4K4
SCHEMBL22454887 0.92 PTGER4 (0.39) TSPOPTGER4ALDH1A3ATMMAP4K4
SCHEMBL22017018 0.92 PTGER4 (0.39) TSPOPTGER4ALDH1A3ATMMAP4K4
SCHEMBL24509900 0.91 L3MBTL1 (0.44) TSPOPGRPTGER4PDE9APDE1C

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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-21 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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, CELF2, L1CAM TSPO 744/4885PGR 1931/4885PTGER4 2489/4885

“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.