SCHEMBL782584

SCHEMBL782584

Ic1cc(-c2ncccn2)cc(-c2ncccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.41
▸ CYP2A6 P11509 1/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ PIK3CD O00329 1/20 0.32
▸ PIP5K1C O60331 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ PDE4A P27815 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
SCHEMBL13539329 0.86 CYP2A6 (0.48) HDAC8CYP2A6CLK4DYRK1AADRB2
SCHEMBL782769 0.78 CLK4 (0.52) HDAC8CYP2A6CLK4DYRK1AADRB2
SCHEMBL14886517 0.74 CYP3A4 (0.43) HDAC8CYP2A6CLK4DYRK1AADRB2
SCHEMBL13445362 0.74 CLK4 (0.52) HDAC8CYP2A6CLK4DYRK1AADRB2
SCHEMBL18327346 0.74 CYP2A6 (0.44) CYP2A6CLK4DYRK1AADRB2PIK3CD
SCHEMBL23079819 0.74 KAT6A (0.43) CYP2A6CLK4DYRK1AADRB2
SCHEMBL14955802 0.74 ADRB2 (0.41) CYP2A6CLK4DYRK1AADRB2PIK3CD
SCHEMBL18325255 0.73 L3MBTL1 (0.46) CYP2A6CLK4DYRK1AADRB2PIK3CD
SCHEMBL19039889 0.73 L3MBTL1 (0.52) CYP2A6CLK4DYRK1AADRB2
SCHEMBL14961829 0.72 CLK4 (0.61) CYP2A6CLK4DYRK1AADRB2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2011000455-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-01-06 — — WO disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — WO 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 (3 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 HDAC8 3619/4885CYP2A6 2074/4885CLK4 4080/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 HDAC8 3619/4885CYP2A6 2074/4885CLK4 4080/4885
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC HDAC8 4751/4885CYP2A6 4279/4885CLK4 4795/4885

“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.

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