SCHEMBL21089308

SCHEMBL21089308

CCCCc1cc(-c2ccc(F)cc2)c2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
APP P05067 3/20 0.36
SULT1A1 P50225 1/20 0.36
PSMB5 P28074 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALOX5 P09917 1/20 0.34
GCGR P47871 1/20 0.34
GUSB P08236 1/20 0.34
SREBF2 Q12772 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL21089444 0.89 PDCD1 (0.37) PDCD1CD274APPPSMB5NPC1
SCHEMBL21089306 0.89 PDCD1 (0.37) PDCD1CD274APPPSMB5NPC1
SCHEMBL21089189 0.87 TSHR (0.39) PDCD1CD274APPPSMB5TSHR
SCHEMBL21089489 0.86 TSHR (0.40) PDCD1CD274APPPSMB5TSHR
SCHEMBL21089439 0.86 PDCD1 (0.39) PDCD1CD274APPPSMB5NPC1
SCHEMBL21089293 0.85 PDCD1 (0.42) PDCD1CD274APPPSMB5NPC1
SCHEMBL21089311 0.82 PDCD1 (0.36) PDCD1CD274APPNPC1MAPK1
SCHEMBL21089392 0.80 TRPV1 (0.43) PDCD1CD274NPC1MEN1KMT2A
SCHEMBL21089318 0.79 ALOX5 (0.45) PDCD1CD274APPSULT1A1NPC1
SCHEMBL21089446 0.79 ALOX5 (0.41) PDCD1CD274APPNPC1MAPK1

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 119/4885APP 2268/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885APP 2268/4885

“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.