SCHEMBL20007064

SCHEMBL20007064

Cc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(-c3cc(C)c(C)cc3-c3ccc(-c4ccccn4)cc3)cc(-c3cccc(-c4cc(-c5cc(C)c(C)cc5-c5ccc(-c6ccccn6)cc5)cc(-c5cc(C)c(C)cc5-c5ccc(-c6ccccc6)nc5)c4)c3-c3cnc(-n4cccc4)nc3)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
HPGDS O60760 2/20 0.34
GRM5 P41594 4/20 0.33
CHEK2 O96017 1/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
WNT3A P56704 2/20 0.32
DCTPP1 Q9H773 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
TGFBR1 P36897 1/20 0.32
LDHA P00338 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BAZ2B Q9UIF8 1/20 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
SCHEMBL21397873 0.86
SCHEMBL20007062 0.86 HSD17B1 (0.38) HPGDSLMNAMAPTLDHABAZ2B
SCHEMBL21397867 0.78 HPGDS (0.47) KDRHPGDSGRM5CHEK2NPC1
SCHEMBL18015360 0.76 HPGDS (0.49) KDRHPGDSGRM5CHEK2NPC1
SCHEMBL22059902 0.76 CHEK2 (0.36) HPGDSGRM5CHEK2NPC1MAPT
SCHEMBL21398057 0.75 HPGDS (0.43) KDRHPGDSGRM5CHEK2NPC1
SCHEMBL20007065 0.75 ALOX5AP (0.34) HSD17B1HSD17B2
SCHEMBL21125087 0.75 HSD17B1 (0.49) KDRHPGDSGRM5CHEK2LMNA
SCHEMBL21125929 0.75 CHEK2 (0.49) KDRHPGDSGRM5CHEK2NPC1
SCHEMBL18015377 0.75 KDM4E (0.49) GRM5CHEK2NPC1LMNARAB9A

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-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
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 KDR 4260/4885HPGDS 4752/4885GRM5 1797/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 KDR 4260/4885HPGDS 4752/4885GRM5 1797/4885

“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.