SCHEMBL782769

SCHEMBL782769

Ic1cccc(-c2ncccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 3/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ METAP2 P50579 1/20 0.48
▸ CYP2A6 P11509 1/20 0.45
▸ PDE4A P27815 2/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ CYP19A1 P11511 2/20 0.38
▸ APP P05067 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIP5K1C O60331 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ KAT6A Q92794 1/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ DHPS P49366 1/20 0.35

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
SCHEMBL20352369 0.84 METAP2 (0.52) CLK4DYRK1AMETAP2CYP2A6PDE4A
SCHEMBL14961829 0.83 CLK4 (0.61) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL27887540 0.79 PDE4A (0.40) CLK4DYRK1AMETAP2PDE4ACHRNB4
SCHEMBL10594550 0.79 METAP2 (0.40) CLK4DYRK1AMETAP2PDE4ACHRNB4
SCHEMBL27871329 0.79 IRAK4 (0.43) CLK4DYRK1AMETAP2PDE4ACHRNB4
SCHEMBL29637608 0.78 CLK4 (0.57) CLK4DYRK1ACYP2A6ADRB2CYP19A1
SCHEMBL782584 0.78 HDAC8 (0.41) CLK4DYRK1AMETAP2CYP2A6PDE4A
SCHEMBL6561405 0.77 METAP2 (0.50) METAP2CYP2A6PDE4ACHRNB4CHRNA3
SCHEMBL4915886 0.77 KDM4E (0.50) METAP2CYP2A6PDE4APIK3CDPI4KA
SCHEMBL31232561 0.77 KDM4E (0.50) METAP2CYP2A6PDE4APIK3CDPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021135517-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 — — WO disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
CN-105218525-A For the material of organic electroluminescence device MERCK PATENT GMBH 2016-01-06 — — CN disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
CN-102448946-B Material for organic electroluminescent device MERCK PATENT GMBH (DE) 2015-10-21 — — CN 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
CN-102471602-B Materials for organic electroluminescence devices MERCK PATENT GMBH 2014-05-07 — — CN disclosed
CN-102471602-A Materials for organic electroluminescence devices MERCK PATENT GMBH 2012-05-23 — — CN disclosed
CN-102448946-A Material for organic electroluminescent device MERCK PATENT GMBH 2012-05-09 — — CN 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

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 CLK4 4080/4885DYRK1A 4642/4885METAP2 3239/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CLK4 4080/4885DYRK1A 4642/4885METAP2 3239/4885
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC CLK4 4795/4885DYRK1A 4306/4885METAP2 2347/4885

“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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