SCHEMBL18015437

SCHEMBL18015437

O=c1cc(-c2ccccc2)nc2cc(Br)ccn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 5/20 0.47
RAD51 Q06609 2/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 4/20 0.42
THRB P10828 1/20 0.42
AKT2 P31751 1/20 0.42
CGAS Q8N884 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGD P15428 2/20 0.40
POLB P06746 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
SCHEMBL1658724 0.82 RAB9A (0.47) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL1661610 0.82 KDM4E (0.62) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL1659969 0.82 NPC1 (0.47) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL1659994 0.81 KDM4E (0.52) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL18015554 0.79 RAB9A (0.45) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL16215931 0.79 KDM4E (0.45) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL1660716 0.78 NPC1 (0.50) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL1660020 0.78 MEN1 (0.56) RAB9ANPC1KDM4ERAD51MAPT
SCHEMBL1837017 0.78 KDR (0.53) RAB9ANPC1KDM4ERAD51AKT2
SCHEMBL1659988 0.75 ADORA2A (0.46) RAB9ANPC1KDM4ERAD51MAPT

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 15 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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
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
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP 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-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 WO 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
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (7 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 RAB9A 3136/4885NPC1 4603/4885KDM4E 4048/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 RAB9A 1967/4885NPC1 3230/4885KDM4E 4613/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC RAB9A 2171/4885NPC1 4039/4885KDM4E 3894/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG RAB9A 3136/4885NPC1 4603/4885KDM4E 4048/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 RAB9A 1433/4885NPC1 2761/4885KDM4E 3864/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 RAB9A 1967/4885NPC1 3230/4885KDM4E 4613/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT RAB9A 2006/4885NPC1 3686/4885KDM4E 3160/4885

“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.