SCHEMBL12166318

SCHEMBL12166318

c1cc(-c2ncncn2)cc(C2(c3cccc(-c4ncncn4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 5/20 0.37
KCNH2 Q12809 5/20 0.37
CYP19A1 P11511 2/20 0.35
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
SCHEMBL12166307 0.97 BACE1 (0.38) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL12166447 0.91 KCNQ2 (0.36) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL12166301 0.91 KDM4E (0.37) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL19293875 0.90 SMN1; SMN2 (0.37) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL12166436 0.89 KCNH2 (0.36) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL12166293 0.87 MEN1 (0.41) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL12166421 0.86 DYRK1A (0.32) BACE1KCNH2
SCHEMBL12166316 0.85 KMT2A (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL12166459 0.84 PDK2 (0.40) BACE1KCNH2PDK2
SCHEMBL21881749 0.84 KMT2A (0.42) ESR1ESR2KDM4EMEN1LMNA

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
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-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-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-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
WO-2011060859-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-26 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 (6 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 ESR1 35/4885ESR2 135/4885KDM4E 3674/4885
US-20190169139-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 ESR1 35/4885ESR2 135/4885KDM4E 3674/4885
US-10981880-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2B1, SLCO2A1 ESR1 35/4885ESR2 135/4885KDM4E 3674/4885
US-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 ESR1 35/4885ESR2 135/4885KDM4E 3674/4885
US-20160096809-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 ESR1 35/4885ESR2 135/4885KDM4E 3674/4885
US-11760734-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2B1, SLCO2A1 ESR1 35/4885ESR2 135/4885KDM4E 3674/4885

“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.