SCHEMBL21089508

SCHEMBL21089508

CCCCc1cc(-c2ccccc2)c2nc(-c3ccccc3/N=C/c3cc(-c4ccc(C#N)cc4)ccc3O)sc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
PSMB5 P28074 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 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
SCHEMBL21089327 0.94 PDCD1 (0.36) PDCD1CD274PSMB5HSD17B10
SCHEMBL21089654 0.89 PDCD1 (0.35) PDCD1CD274PSMB5HSD17B10
SCHEMBL21089489 0.83 TSHR (0.40) PDCD1CD274PSMB5TSHRHSD17B10
SCHEMBL21089189 0.82 TSHR (0.39) PDCD1CD274PSMB5TSHRHSD17B10
SCHEMBL21089454 0.81 ALDH1A1 (0.33)
SCHEMBL24941926 0.80 PTGS1 (0.37) PDCD1CD274
SCHEMBL21089473 0.78 MAOB (0.35)
SCHEMBL21089520 0.76 MEN1 (0.35) HSD17B10
SCHEMBL24942492 0.76 APP (0.36)
SCHEMBL21089293 0.74 PDCD1 (0.42) PDCD1CD274PSMB5

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 119/4885PSMB5 4459/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885PSMB5 4459/4885

“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.