SCHEMBL21622982

SCHEMBL21622982

c1ccc(-c2nc(-n3c4ccccc4c4c5nc6ccccn6c5ccc43)nc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 2/20 0.35
NUDT1 P36639 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL23917344 0.93 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL21622750 0.90 KDM4E (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL21622738 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23917153 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL21622745 0.88 ADORA2A (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23917318 0.87 NPC1 (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23917140 0.86 KDM4E (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23917102 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23917104 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23917395 0.85 ALOX5 (0.34) ALDH1A1KDM4EHPGDMAPTNPSR1

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 ALDH1A1 504/4885KDM4E 2132/4885HPGD 1534/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 504/4885KDM4E 2132/4885HPGD 1534/4885

“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.