SCHEMBL21398063

SCHEMBL21398063

c1ccc(-c2ncc(-c3c(-c4cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)c4)cccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.46
GRM5 P41594 2/20 0.43
KDR P35968 1/20 0.42
CHEK2 O96017 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TGFBR1 P36897 2/20 0.40
CYP2A6 P11509 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL20006932 0.89 GRM5 (0.41) GRM5CHEK2RAB9ASMN1; SMN2NPC1
SCHEMBL20068811 0.89 CHEK2 (0.47) HPGDSGRM5KDRCHEK2RAB9A
SCHEMBL21397962 0.87 NPC1 (0.44) HPGDSRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL21398036 0.85 LDHA (0.42) HPGDSRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL21397867 0.85 HPGDS (0.47) HPGDSGRM5KDRCHEK2RAB9A
SCHEMBL21398057 0.85 HPGDS (0.43) HPGDSGRM5KDRCHEK2RAB9A
SCHEMBL25070279 0.84 TGFBR1 (0.49) GRM5KDRRAB9ASMN1; SMN2NPC1
SCHEMBL18015360 0.83 HPGDS (0.49) HPGDSGRM5KDRCHEK2RAB9A
SCHEMBL21264668 0.82 KDM4E (0.46) GRM5CHEK2RAB9ASMN1; SMN2NPC1
SCHEMBL21398046 0.82 NPC1 (0.42) HPGDSRAB9ASMN1; SMN2NPC1NFKB1

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 4752/4885GRM5 1797/4885KDR 4260/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 HPGDS 4752/4885GRM5 1797/4885KDR 4260/4885

“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.