SCHEMBL21660657

SCHEMBL21660657

c1ccc(-n2c3nc4ccccc4c-3cc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.45
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
TERT O14746 1/20 0.43
TDP2 O95551 3/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL21660630 0.89 KDM4E (0.46) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL21660554 0.89 KDM4E (0.45) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL21660473 0.89 KMT2A (0.46) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL21660627 0.86 KDM4E (0.43) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL21660752 0.85 GAA (0.43) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL12144421 0.84 RECQL (0.56) RECQLKDM4EALDH1A1HPGDMAPK1
SCHEMBL21660560 0.84 ESR1 (0.44) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL21660483 0.84 AOC3 (0.47) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL21660628 0.83 KDM4E (0.41) RECQLKDM4EALDH1A1HPGDGAA
SCHEMBL9976896 0.83 RECQL (0.51) RECQLKDM4EALDH1A1HPGDGAA

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 RECQL 2020/4885KDM4E 1917/4885ALDH1A1 441/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM RECQL 2020/4885KDM4E 1917/4885ALDH1A1 441/4885

“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.