SCHEMBL21398057

SCHEMBL21398057

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7ccccn7)cc6)cc(-c6ccccc6-c6ccc(-c7ccccn7)cc6)c5)c4-c4ccc(-c5ccccn5)nc4)c3)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
CYP1A2 P05177 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
CHEK2 O96017 1/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALPL P05186 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
SCHEMBL21397867 0.94 HPGDS (0.47) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL20068613 0.91 CHEK2 (0.48) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL21125828 0.89 CHEK2 (0.49) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL21125087 0.88 HSD17B1 (0.49) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL18015360 0.86 HPGDS (0.49) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL19794441 0.86 HPGDS (0.52) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL12925598 0.86 KDM4E (0.52) HPGDSKDM4ELMNACCR1CCR5
SCHEMBL21264668 0.86 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21125929 0.85 CHEK2 (0.49) HPGDSLMNAP4HTMCHEK2L3MBTL1
SCHEMBL21398063 0.85 HPGDS (0.46) HPGDSKDM4ELMNACHEK2TP53

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
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 HPGDS 4752/4885KDM4E 4613/4885LMNA 3190/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 HPGDS 4752/4885KDM4E 4613/4885LMNA 3190/4885

“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.