SCHEMBL19933656

SCHEMBL19933656

CN(C(=O)c1ccc(-c2ccccn2)cc1)c1cc(-c2ccccc2-c2ccc(-c3cnc(-c4ccc(-c5ccccc5-c5cc(N(C)C(=O)c6ccc(-c7ccccn7)cc6)cc(N(C)C(=O)c6ccc(-c7ccccn7)cc6)c5)cc4)cn3)cc2)cc(N(C)C(=O)c2ccc(-c3ccccn3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
CHEK2 O96017 1/20 0.44
ATR Q13535 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
OXTR P30559 1/20 0.41
GRM1 Q13255 1/20 0.41
SLC6A9 P48067 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21125078 0.90 ABL1 (0.44) ABL1BCRCHEK2TRPV1GRM1
SCHEMBL19933655 0.89 ABL1 (0.43) ABL1BCRCHEK2ATRTRPV1
SCHEMBL18573235 0.88 ABL1 (0.54) ABL1BCRTRPV1OXTRGRM1
SCHEMBL19933594 0.82 ABL1 (0.49) ABL1BCRTRPV1OXTRGRM1
SCHEMBL22059877 0.82 ABL1 (0.49) ABL1BCRTRPV1OXTRGRM1
SCHEMBL21721909 0.82 ABL1 (0.43) ABL1BCRCHEK2TRPV1OXTR
SCHEMBL21721929 0.80 CHEK2 (0.42) ABL1BCRCHEK2TRPV1OXTR
SCHEMBL21125955 0.80 ABL1 (0.45) ABL1BCRCHEK2TRPV1GRM1
SCHEMBL23018807 0.79 ABL1 (0.36) ABL1BCRCHEK2ATRTRPV1
SCHEMBL19933702 0.79 ABL1 (0.42) ABL1BCRCHEK2TRPV1OXTR

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-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 ABL1 2444/4885BCR 3740/4885CHEK2 2936/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG ABL1 2444/4885BCR 3740/4885CHEK2 2936/4885

“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.