SCHEMBL21622869

SCHEMBL21622869

c1ccc(-c2nc(-n3c4ccccc4c4ccc5nc6ccccn6c5c43)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
GLA P06280 3/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SALL4 Q9UJQ4 1/20 0.34
HPGD P15428 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
ADRA1B P35368 1/20 0.32
NTRK1 P04629 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
MAPK10 P53779 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL21622756 0.89 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23917073 0.87 NPC1 (0.36) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23917314 0.87 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23917145 0.83 KDM4E (0.39) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23917309 0.83 KDM4E (0.39) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23917312 0.83 KDM4E (0.41) KDM4EALDH1A1GLAGAANPC1
SCHEMBL18026413 0.83 KDM4E (0.38) KDM4EALDH1A1GAAHPGDNPSR1
SCHEMBL21342342 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL21622740 0.80 ALDH1A1 (0.36) KDM4EALDH1A1GLAGAANPC1
SCHEMBL21622722 0.80 KDM4E (0.36) KDM4EALDH1A1GLAGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
EP-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 EP disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 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 (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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM KDM4E 2132/4885ALDH1A1 504/4885GLA 1843/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 2132/4885ALDH1A1 504/4885GLA 1843/4885

“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.