SCHEMBL19933690

SCHEMBL19933690

CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)cc(C(=O)N(C)c6ccc(-c7ccccn7)cc6)c5)cc4)n3)cc2)c1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EGFR P00533 1/20 0.41
PRKCA P17252 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMO Q99835 2/20 0.38
CHEK2 O96017 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GRM1 Q13255 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL23018780 0.95 NPC1 (0.42) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL21125955 0.92 ABL1 (0.45) RAB9AKMT2AKDM4ESMN1; SMN2ABL1
SCHEMBL21721929 0.88 CHEK2 (0.42) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL19933655 0.88 ABL1 (0.43) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL21397866 0.86 ABL1 (0.43) RAB9AKMT2AKDM4ESMN1; SMN2ABL1
SCHEMBL21721909 0.86 ABL1 (0.43) NPC1RAB9AKMT2AKDM4EABL1
SCHEMBL18573166 0.85 ABL1 (0.51) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL19933702 0.85 ABL1 (0.42) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL22059897 0.81 GPBAR1 (0.41) NPC1RAB9AKMT2AKDM4EEGFR
SCHEMBL19933639 0.80 NPC1 (0.56) NPC1RAB9AKMT2AMEN1KDM4E

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 NPC1 4603/4885RAB9A 3136/4885KMT2A 2679/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG NPC1 4603/4885RAB9A 3136/4885KMT2A 2679/4885

“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.