SCHEMBL21089294

SCHEMBL21089294

CCCCc1cc(-c2cccc(-c3ccccc3)c2)c2nc(-c3ccccc3N)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSMB5 P28074 1/20 0.38
TLR7 Q9NYK1 3/20 0.35
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
TLR8 Q9NR97 2/20 0.33
BCL2L2 Q92843 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
SCHEMBL21089293 0.88 PDCD1 (0.42) PDCD1CD274MAPTSMN1; SMN2NPC1
SCHEMBL21089439 0.85 PDCD1 (0.39) PDCD1CD274MAPTSMN1; SMN2NPC1
SCHEMBL21089668 0.84 KDM4E (0.40) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL21089475 0.83 ALDH1A1 (0.48) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL21089302 0.81 ALDH1A1 (0.48) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL21089447 0.81 L3MBTL1 (0.40) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL21089191 0.80 ALDH1A1 (0.39) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL21089458 0.78 TLR8 (0.36) PDCD1CD274MAPTKDM4EMEN1
SCHEMBL21089444 0.77 PDCD1 (0.37) PDCD1CD274SMN1; SMN2NPC1RAB9A
SCHEMBL21089192 0.72 ALDH1A1 (0.59) PDCD1CD274MAPTKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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 (2 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885MAPT 1819/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885MAPT 1819/4885

“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.