SCHEMBL15434896

SCHEMBL15434896

Brc1ccccc1N1c2ccccc2N(c2ccccc2Br)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.62
TLR9 Q9NR96 1/20 0.42
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.36
HCAR1 Q9BXC0 4/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL15434842 0.88 MGLL (0.52) MGLLTLR9GSK3AGSK3BALDH1A1
SCHEMBL21510804 0.88 MGLL (0.52) MGLLTLR9GSK3AGSK3BALDH1A1
SCHEMBL15434881 0.86 MGLL (0.50) MGLLTLR9GSK3AGSK3BALDH1A1
SCHEMBL15434832 0.82 ALDH1A1 (0.56) MGLLALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL21510986 0.82 MGLL (0.47) MGLLGSK3AGSK3BALDH1A1TSHR
SCHEMBL16604412 0.81 MGLL (0.50) MGLLNPC1RAB9A
SCHEMBL29829444 0.81 MGLL (0.50) MGLLNPC1RAB9A
SCHEMBL14550947 0.81 MGLL (0.50) MGLL
SCHEMBL29988246 0.81 MGLL (0.50) MGLL
SCHEMBL15416033 0.81 MGLL (0.46) MGLLALDH1A1MAPK1TSHRNPC1

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-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014008967-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-01-16 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-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EPCAM, OR10J3 MGLL 2202/4885TLR9 2426/4885GSK3A 3955/4885

“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.