SCHEMBL21660669

SCHEMBL21660669

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5nc6ccccc6c-5cc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.42
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.34
MAPT P10636 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21660675 0.92 PTGER4 (0.41) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL21660629 0.88 PTGER4 (0.43) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL21660752 0.86 GAA (0.43) GAAMEN1KMT2AKDM4ERECQL
SCHEMBL17483375 0.86 L3MBTL1 (0.50) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL22174890 0.86 L3MBTL1 (0.50) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL30150737 0.86 L3MBTL1 (0.50) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL6374990 0.86 L3MBTL1 (0.50) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL15394980 0.86 L3MBTL1 (0.50) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL23318079 0.84 L3MBTL1 (0.49) PTGER4GAAMEN1KMT2AKDM4E
SCHEMBL24152738 0.84 L3MBTL1 (0.49) PTGER4GAAMEN1KMT2AKDM4E

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
EP-3583104-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
US-10923665-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-02-16 US disclosed
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-06 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-10923665-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM PTGER4 2562/4885GAA 2587/4885MEN1 2049/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM PTGER4 2562/4885GAA 2587/4885MEN1 2049/4885

“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.