SCHEMBL12166459

SCHEMBL12166459

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(C4(c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)c5ccccc5-c5ccc(-c6ncncn6)cc54)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.40
BACE1 P56817 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL12166474 0.97 PDK2 (0.39) PDK2
SCHEMBL12166453 0.97 PDK2 (0.39) PDK2
SCHEMBL12166301 0.92 KDM4E (0.37) PDK2BACE1KCNH2
SCHEMBL12166461 0.89 PDK2 (0.39) PDK2
SCHEMBL12166468 0.87 PDK2 (0.43) PDK2
SCHEMBL12166455 0.87 PDK2 (0.43) PDK2
SCHEMBL12166481 0.87 PDK2 (0.43) PDK2
SCHEMBL12166307 0.87 BACE1 (0.38) PDK2BACE1KCNH2
SCHEMBL12166475 0.86 PDK2 (0.38) PDK2
SCHEMBL12166451 0.86 PDK2 (0.38) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760734-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11760734-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-20210221775-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-07-22 US disclosed
US-10981880-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
US-20190169139-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-06-06 US disclosed
US-10233159-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-03-19 US disclosed
US-20160096809-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-9187456-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-11-17 US disclosed
US-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-09-13 US disclosed
US-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-09-13 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 (7 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-10233159-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885
US-20190169139-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885
US-20210221775-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885
US-10981880-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885
US-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885
US-20160096809-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885
US-11760734-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2B1, SLCO2A1 PDK2 2688/4885BACE1 3576/4885KCNH2 36/4885

“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.