SCHEMBL5042587

SCHEMBL5042587

N#Cc1cccc(C(=O)c2cc(Br)ccc2N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
POLB P06746 1/20 0.63
GSK3B P49841 2/20 0.50
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
MAPK14 Q16539 1/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
P4HB P07237 1/20 0.45
VNN1 O95497 5/20 0.44
PLAU P00749 1/20 0.43

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
SCHEMBL5039012 0.83 MAPK14 (0.48) MAPTPOLBGSK3BMAPK14CLK1
SCHEMBL6772685 0.80 MAPK14 (0.48) GSK3BMAPK14CLK1DYRK1ADYRK1B
SCHEMBL4709783 0.80 VNN1 (0.52) MAPTMAPK14MAPK1HTTP4HB
SCHEMBL5226711 0.79 MAPK14 (0.50) MAPTGSK3BMAPK14GAACLK1
SCHEMBL29979531 0.78 MAPT (1.00) MAPTPOLBKDM4EGLANPC1
SCHEMBL26738 0.78 MAPT (1.00) MAPTPOLBKDM4EGLANPC1
SCHEMBL1757757 0.78 MAPT (0.69) MAPTPOLBKDM4EGLANPC1
SCHEMBL4852724 0.77 MAPT (0.58) MAPTPOLBKDM4EGLANPC1
SCHEMBL25223545 0.77 MAPT (0.63) MAPTPOLBKDM4EGLANPC1
SCHEMBL5034761 0.77 CYP1A2 (0.45) GSK3BMAPK14HTTL3MBTL1P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410963-B2 To treat diseases associated with abnormal regulation of intracellular cAMP and/or cGMP rate and abnormal regulation of neurotransmitter effect, with no perturbating effect on memory; autoinflammatory disorders; 3-(8-Methoxy-1-methyl-2-oxo-7-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile VIA PHARMACEUTICALS, INC. (US) 2008-08-12 US disclosed
US-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2007-05-31 US disclosed
CN-1898217-A Benzo'1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2007-01-17 CN disclosed
EP-1697332-A1 BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2006-09-06 EP disclosed
WO-2005063723-A1 BENZO`1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2005-07-14 WO disclosed
EP-1548011-A1 Benzo[1,4]diazepin-2-one derivatives as phosphodiesterase PDE2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2005-06-29 EP 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-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof PDE12, PDE2A, PDE3A MAPT 2783/4885POLB 1178/4885GSK3B 275/4885

“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.