SCHEMBL21660752

SCHEMBL21660752

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5nc6ccccc6c-5cc5ccccc54)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PLA2G10 O15496 1/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TDP2 O95551 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NR1I3 Q14994 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL21660473 0.91 KMT2A (0.46) GAAKMT2AMEN1RECQLESR1
SCHEMBL21660517 0.88 KDM4E (0.41) GAAKMT2AMEN1RECQLPLA2G10
SCHEMBL21660669 0.86 PTGER4 (0.42) GAAKMT2AMEN1RECQLESR1
SCHEMBL21660657 0.85 RECQL (0.51) GAAKMT2ARECQLESR1ESR2
SCHEMBL22507315 0.83 RECQL (0.51) GAAKMT2AMEN1RECQLESR1
SCHEMBL22507283 0.81 ESR1 (0.58) GAAKMT2AMEN1RECQLESR1
SCHEMBL22522287 0.81 ESR1 (0.58) GAAKMT2AMEN1RECQLESR1
SCHEMBL21660547 0.80 MAPK1 (0.44) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15033629 0.80 ESR1 (0.60) GAAKMT2AMEN1RECQLESR1
SCHEMBL24952998 0.79 ESR1 (0.56) GAAKMT2AMEN1RECQLESR1

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 GAA 2587/4885KMT2A 1679/4885MEN1 2049/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM GAA 2587/4885KMT2A 1679/4885MEN1 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.