SCHEMBL21398027

SCHEMBL21398027

Cc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)ccc3c2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERN1 O75460 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL18015299 0.87 ALDH1A1 (0.41) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19933697 0.85 KMT2A (0.38) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL21398031 0.83
SCHEMBL20068728 0.81 ALDH1A1 (0.38) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL21125818 0.80 ALDH1A1 (0.40) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL23956235 0.78 TGFBR1 (0.34) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL23956355 0.78 ALDH1A1 (0.36) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL23956274 0.78 ALDH1A3 (0.39) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL23956297 0.77 ALDH1A3 (0.35) TGFBR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19933621 0.76 RAB9A (0.39) KDM4EMEN1NPC1ALDH1A1LMNA

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 TGFBR1 3855/4885KDM4E 4613/4885MEN1 3285/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 TGFBR1 3855/4885KDM4E 4613/4885MEN1 3285/4885

“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.