SCHEMBL19933668

SCHEMBL19933668

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)cc(-c8ccccc8-c8ccc(-c9cc(C(C)(C)C)ccn9)cc8)c7)cn6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ALOX5AP P20292 8/20 0.39
FEN1 P39748 8/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NR2F2 P24468 1/20 0.37
KMT2A Q03164 1/20 0.37
CHEK2 O96017 1/20 0.36
SYK P43405 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL21721907 0.96 MEN1 (0.38) TRPV1ABL1BCRALOX5APFEN1
SCHEMBL19794405 0.90 NPC1 (0.40) TRPV1ABL1BCRNPC1RAB9A
SCHEMBL18015600 0.88 TRPV1 (0.46) TRPV1ABL1BCRNPC1RAB9A
SCHEMBL19794448 0.88 TRPV1 (0.46) TRPV1ABL1BCRNPC1RAB9A
SCHEMBL21662377 0.85 TRPV1 (0.39) TRPV1ABL1BCRNPC1CHEK2
SCHEMBL19933667 0.85 FAAH (0.39) TRPV1ABL1BCRNPC1RAB9A
SCHEMBL18015301 0.85 NPC1 (0.44) TRPV1ABL1BCRNPC1RAB9A
SCHEMBL19794371 0.84 KMT2A (0.49) TRPV1ABL1BCRALOX5APFEN1
SCHEMBL21662276 0.84 TRPV1 (0.39) TRPV1ABL1BCRRAB9AMEN1
SCHEMBL18015356 0.84 PIM1 (0.37) TRPV1ABL1BCRNPC1RAB9A

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 TRPV1 1595/4885ABL1 2444/4885BCR 3740/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG TRPV1 1595/4885ABL1 2444/4885BCR 3740/4885

“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.