SCHEMBL21398049

SCHEMBL21398049

c1cnc(-c2ccc(-c3c(-c4cc(-c5ccccc5-c5ccc(-n6cnc7cc8c(cc76)C6CCC8CC6)cc5)cc(-c5ccccc5-c5ccc(-n6cnc7cc8c(cc76)C6CCC8CC6)cc5)c4)cccc3-c3cc(-c4ccccc4-c4ccc(-n5cnc6cc7c(cc65)C5CCC7CC5)cc4)cc(-c4ccccc4-c4ccc(-n5cnc6cc7c(cc65)C5CCC7CC5)cc4)c3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
PTK2B Q14289 1/20 0.38
HTT P42858 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
PPP1CA P62136 1/20 0.37
TNK2 Q07912 1/20 0.35
FGFR1 P11362 7/20 0.34
SRC P12931 3/20 0.34
HTR1A P08908 1/20 0.33
DRD4 P21917 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
SCHEMBL21398050 0.91 CHRNB2 (0.38) CHRNB2CHRNA4MAPTKMT2ANPSR1
SCHEMBL22563419 0.88 CHRNB2 (0.38) CHRNB2CHRNA4MAPTKMT2ANPSR1
SCHEMBL20006920 0.83 MAPT (0.55) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL20006919 0.79 MAPT (0.38) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL19794364 0.77 CHRNB2 (0.42) CHRNB2CHRNA4MAPTKMT2ANPSR1
SCHEMBL21397871 0.74 CYP1A2 (0.39) MAPTKMT2ANPSR1PTK2BHTT
SCHEMBL21398047 0.68 TOP1 (0.40) MAPTKMT2ATHRBRAB9A
SCHEMBL20006932 0.67 GRM5 (0.41) HTTCYP1A2CYP2C9CYP2C19POLB
SCHEMBL15615039 0.66 CHRNB2 (0.58) CHRNB2CHRNA4HTTCYP1A2FGFR1
SCHEMBL18309499 0.65 CHRNB2 (0.71) CHRNB2CHRNA4HTTFGFR1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 CHRNB2 843/4885CHRNA4 462/4885MAPT 1256/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CHRNB2 843/4885CHRNA4 462/4885MAPT 1256/4885

“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.