SCHEMBL19933697

SCHEMBL19933697

Cc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccnc(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)c8)cc7)n6)cc5)cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)c4)ccc3c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.38
MEN1 O00255 9/20 0.38
MAPT P10636 7/20 0.38
NPC1 O15118 5/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A3 P47895 4/20 0.36
ALDH1A2 O94788 3/20 0.36
TGFBR1 P36897 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
PTK2B Q14289 1/20 0.33
PIM1 P11309 1/20 0.32

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) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL21125818 0.86 ALDH1A1 (0.40) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL23956274 0.86 ALDH1A3 (0.39) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL23956355 0.86 ALDH1A1 (0.36) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL21398027 0.85 TGFBR1 (0.34) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL23956225 0.84 NPC1 (0.47) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL20068728 0.83 ALDH1A1 (0.38) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL19933706 0.81 ALDH1A3 (0.39) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL23956297 0.79 ALDH1A3 (0.35) KMT2AMEN1MAPTNPC1KDM4E
SCHEMBL23956235 0.78 TGFBR1 (0.34) KMT2AMEN1MAPTNPC1KDM4E

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
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG KMT2A 2679/4885MEN1 3549/4885MAPT 2100/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG KMT2A 2679/4885MEN1 3549/4885MAPT 2100/4885

“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.