SCHEMBL21397868

SCHEMBL21397868

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-c5ccc(-c6ncccn6)cc5)c4)cn3)cccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
PDK2 Q15119 1/20 0.31
PRKDC P78527 1/20 0.31
GRM5 P41594 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
SCHEMBL21397869 0.93 CDK1 (0.32) TGFBR1CDK1CCNB1GSK3BCDK5
SCHEMBL21125469 0.89 ENPP3 (0.35) TGFBR1GRM5
SCHEMBL19933714 0.88 TGFBR1 (0.33) TGFBR1CDK1CCNB1GSK3BCDK5
SCHEMBL21125944 0.88 HSD17B1 (0.36) TGFBR1CDK1CCNB1GSK3BCDK5
SCHEMBL18015374 0.87 ADORA1 (0.36) TGFBR1CDK1CCNB1GSK3BCDK5
SCHEMBL22059833 0.86 TGFBR1 (0.35) TGFBR1
SCHEMBL19794462 0.84 ENPP3 (0.34) TGFBR1CDK1CCNB1GSK3BCDK5
SCHEMBL24380057 0.84 ENPP3 (0.32) TGFBR1PDK2GRM5
SCHEMBL18015598 0.83 ADORA1 (0.33) TGFBR1CDK1CCNB1GSK3BCDK5
SCHEMBL21142217 0.83 FEN1 (0.39) TGFBR1GSK3B

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 TGFBR1 3855/4885CDK1 2714/4885CCNB1 2995/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 TGFBR1 3855/4885CDK1 2714/4885CCNB1 2995/4885

“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.