SCHEMBL21397866

SCHEMBL21397866

CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2cccc(-c3cc(C(=O)N(C)c4ccc(-c5ccccn5)cc4)cc(C(=O)N(C)c4ccc(-c5ccccn5)cc4)c3)c2-c2ccc(-c3ncccn3)cc2)c1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
GFER P55789 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
KMT2A Q03164 1/20 0.38
OXTR P30559 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
CHEK2 O96017 1/20 0.35
CNR1 P21554 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
SCHEMBL22563396 0.91 ABL1 (0.38) ABL1BCRGFERKDM4ETRPV1
SCHEMBL21721929 0.87 CHEK2 (0.42) ABL1BCRGFERKDM4ETRPV1
SCHEMBL21125955 0.87 ABL1 (0.45) ABL1BCRGFERKDM4ETRPV1
SCHEMBL19933690 0.86 NPC1 (0.43) ABL1BCRKDM4ETRPV1KMT2A
SCHEMBL18573166 0.86 ABL1 (0.51) ABL1BCRKDM4ETRPV1KMT2A
SCHEMBL21721909 0.84 ABL1 (0.43) ABL1BCRKDM4ETRPV1KMT2A
SCHEMBL19933655 0.84 ABL1 (0.43) ABL1BCRGFERKDM4ETRPV1
SCHEMBL19933610 0.83 ABL1 (0.46) ABL1BCRKDM4ETRPV1KMT2A
SCHEMBL23018780 0.82 NPC1 (0.42) ABL1BCRKDM4EKMT2ASMN1; SMN2
SCHEMBL19933702 0.81 ABL1 (0.42) ABL1BCRGFERKDM4ETRPV1

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 ABL1 3557/4885BCR 3642/4885GFER 2749/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 ABL1 3557/4885BCR 3642/4885GFER 2749/4885

“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.