SCHEMBL21089189

SCHEMBL21089189

CCCCc1cc(-c2ccc(C#N)cc2)c2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 2/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
PSMB5 P28074 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
APP P05067 2/20 0.33
SREBF2 Q12772 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GUSB P08236 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
SCHEMBL21089489 0.99 TSHR (0.40) TSHRHSD17B10IKBKBLTB4R2PDCD1
SCHEMBL21089308 0.87 PDCD1 (0.38) TSHRLTB4R2PDCD1CD274TRPM8
SCHEMBL21089444 0.86 PDCD1 (0.37) PDCD1CD274TRPM8PSMB5APP
SCHEMBL21089306 0.86 PDCD1 (0.37) PDCD1CD274TRPM8PSMB5APP
SCHEMBL21089439 0.83 PDCD1 (0.39) PDCD1CD274TRPM8PSMB5APP
SCHEMBL21089293 0.83 PDCD1 (0.42) PDCD1CD274TRPM8PSMB5APP
SCHEMBL21089508 0.82 PDCD1 (0.33) TSHRHSD17B10LTB4R2PDCD1CD274
SCHEMBL21089455 0.80 ABCB1 (0.39) HSD17B10PDCD1CD274TRPM8ABCB1
SCHEMBL21089311 0.80 PDCD1 (0.36) PDCD1CD274TRPM8APPSREBF2
SCHEMBL21089184 0.79 APP (0.43) HSD17B10TRPM8ABCB1ABCG2APP

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 TSHR 2815/4885HSD17B10 4197/4885IKBKB 4763/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 TSHR 2815/4885HSD17B10 4197/4885IKBKB 4763/4885

“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.