SCHEMBL3942970

SCHEMBL3942970

O=C1[C]c2ccccc2-c2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PDGFRA P16234 1/20 0.45
FER P16591 1/20 0.45
LTK P29376 1/20 0.45
CDK8 P49336 1/20 0.45
ACVR1 Q04771 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GSK3B P49841 1/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
IDO1 P14902 2/20 0.37
HPGD P15428 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
SCHEMBL302509 0.83 MAOA (0.37) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL898371 0.79 LRRK2 (0.48) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL8123268 0.76 LRRK2 (0.55) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL102781 0.75 MEN1 (0.37) MAOAMAOBGSK3BMAPTALDH1A1
SCHEMBL6255304 0.71 LRRK2 (0.58) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL577831 0.71 CDC25B (0.58) MAOAMAOBMAPTALDH1A1NPSR1
SCHEMBL577541 0.68 GAA (0.43) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL577542 0.68 GAA (0.43) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL17816635 0.67 LRRK2 (0.59) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL30462618 0.67 LRRK2 (0.59) LRRK2MAOAMAOBPDGFRAFER

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP claimed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO claimed
CN-101622232-A 6-oxo-6, 7-dihydro-5H-dibenzo [B, D] aza-7-yl derivative HOFFMANN LA ROCHE 2010-01-06 CN disclosed
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 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 (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-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES BACE1, BACE2, APH1B LRRK2 2430/4885MAOA 2744/4885MAOB 1812/4885

“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.