SCHEMBL19933702

SCHEMBL19933702

CN(C(=O)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2cc(-c3ccc(N(C)C(=O)c4cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5)c4)cc3)ncn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CYP1A2 P05177 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
CHEK2 O96017 1/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.36
OXTR P30559 1/20 0.36
NPC1 O15118 1/20 0.36

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 0.89 ABL1 (0.44) ABL1BCRCYP1A2CLK4CYP2C9
SCHEMBL19933655 0.88 ABL1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21125955 0.88 ABL1 (0.45) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21721929 0.86 CHEK2 (0.42) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21721909 0.85 ABL1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL19933690 0.85 NPC1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL18573166 0.84 ABL1 (0.51) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21397866 0.81 ABL1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL22059897 0.81 GPBAR1 (0.41) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL23018780 0.81 NPC1 (0.42) ABL1BCRKDM4EKMT2AALDH1A1

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 ABL1 2444/4885BCR 3740/4885CYP1A2 4747/4885
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 3740/4885CYP1A2 4747/4885

“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.