SCHEMBL20182039

SCHEMBL20182039

Brc1ccccc1Nc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FABP4 P15090 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CXCR2 P25025 1/20 0.34
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL21665494 0.90 PDK2 (0.42) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL21665617 0.82 MEN1 (0.49) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL10053123 0.81 PDK2 (0.56) PDK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL29484645 0.81 PDK2 (0.56) PDK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL22448035 0.81 SMN1; SMN2 (0.40) PDK2MAPTFABP4KMT2AKDM4E
SCHEMBL15250328 0.81 PDK2 (0.41) PDK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL18647780 0.81 PDK2 (0.40) PDK2MAPTKMT2AKDM4EMEN1
SCHEMBL15832135 0.81 TSHR (0.41) PDK2MAPTALDH1A1FABP4KMT2A
SCHEMBL17986722 0.81 FABP4 (0.45) PDK2MAPTALDH1A1FABP4KMT2A
SCHEMBL15250356 0.80 MEN1 (0.46) PDK2MAPTALDH1A1FABP4KMT2A

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
EP-3541890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
WO-2018091435-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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 (1 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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM PDK2 1056/4885MAPT 1786/4885ALDH1A1 33/4885

“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.