SCHEMBL21089447

SCHEMBL21089447

CCCCc1cc(-c2cccc3c2sc2ccccc23)c2nc(-c3ccccc3N)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 3/20 0.36
PARP14 Q460N5 1/20 0.35
ALOX5 P09917 1/20 0.34
ATM Q13315 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
POLB P06746 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL21089446 0.89 ALOX5 (0.41) L3MBTL1KDM4EALDH1A1MAPTNPC1
SCHEMBL21089668 0.88 KDM4E (0.40) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL21089458 0.82 TLR8 (0.36) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL21089294 0.81 PDCD1 (0.40) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL21089191 0.78 ALDH1A1 (0.39) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL21089311 0.76 PDCD1 (0.36) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21089457 0.71 ALOX5 (0.42) KDM4EALDH1A1MAPTMEN1NPC1
SCHEMBL29789016 0.71 ALOX5 (0.51) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL356886 0.71 ALOX5 (0.51) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL17856598 0.69 PARP14 (0.45) L3MBTL1KDM4EALDH1A1MAPTMEN1

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 L3MBTL1 125/4885KDM4E 812/4885ALDH1A1 451/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 L3MBTL1 125/4885KDM4E 812/4885ALDH1A1 451/4885

“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.