SCHEMBL21397869

SCHEMBL21397869

Cc1ccc2c(n1)oc1c(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cccc7c6oc6nc(C)ccc67)nc5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc(-c8cccc9c8oc8nc(C)ccc89)nc7)cc(-c7ccccc7-c7ccc(-c8cccc9c8oc8nc(C)ccc89)nc7)c6)c5-c5cnc(-c6ccccc6)nc5)c4)cn3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGDS O60760 2/20 0.31
TGFBR1 P36897 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL21397868 0.93 TGFBR1 (0.32) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL18015374 0.90 ADORA1 (0.36) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL21125944 0.89 HSD17B1 (0.36) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL21125469 0.88 ENPP3 (0.35) HPGDSTGFBR1ADORA2AADORA1
SCHEMBL19794462 0.87 ENPP3 (0.34) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL19933714 0.87 TGFBR1 (0.33) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL18015598 0.86 ADORA1 (0.33) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL22059833 0.85 TGFBR1 (0.35) NPC1RAB9ASMN1; SMN2TGFBR1
SCHEMBL15673151 0.85 ADORA1 (0.34) TGFBR1ADORA2AADORA1
SCHEMBL24380057 0.83 ENPP3 (0.32) TGFBR1PDK2

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 CDK1 2714/4885CCNB1 2995/4885GSK3B 4556/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CDK1 2714/4885CCNB1 2995/4885GSK3B 4556/4885

“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.