SCHEMBL5039012

SCHEMBL5039012

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
GSK3B P49841 2/20 0.47
VNN1 O95497 13/20 0.46
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5042587 0.83 MAPT (0.63) MAPK14GSK3BVNN1CLK1DYRK1A
SCHEMBL5226711 0.82 MAPK14 (0.50) MAPK14GSK3BVNN1CLK1DYRK1A
SCHEMBL6772685 0.80 MAPK14 (0.48) MAPK14GSK3BVNN1CLK1DYRK1A
SCHEMBL4709783 0.80 VNN1 (0.52) MAPK14VNN1MAPT
SCHEMBL29980197 0.78 MAPT (0.64) POLBMAPT
SCHEMBL1877051 0.78 MAPT (0.64) POLBMAPT
SCHEMBL6854416 0.78 ALOX15 (0.51) POLBMAPT
SCHEMBL4852724 0.77 MAPT (0.58) VNN1POLBMAPT
SCHEMBL4709546 0.75 KDM4E (0.48) MAPK14GSK3BVNN1
SCHEMBL11057542 0.75 GSK3B (0.50) MAPK14GSK3BVNN1CLK1DYRK1A

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 MAPK14 2651/4885GSK3B 275/4885VNN1 2566/4885

“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.