SCHEMBL5557206

SCHEMBL5557206

N#Cc1cccc(-c2ccnc(N3CCOCC3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 2/20 0.65
LRRK2 Q5S007 8/20 0.63
PDE4D Q08499 1/20 0.61
ABL1 P00519 1/20 0.57
KCNH2 Q12809 1/20 0.56
TNIK Q9UKE5 1/20 0.56
TBK1 Q9UHD2 1/20 0.53
MST1 P26927 1/20 0.53
STK4 Q13043 1/20 0.53
STK3 Q13188 1/20 0.53
STK26 Q9P289 1/20 0.53
PRKDC P78527 1/20 0.52
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
PPARG P37231 1/20 0.49
GRM5 P41594 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL5558231 0.88 SMG1 (0.51) SMG1LRRK2PDE4DGRM5CLK4
SCHEMBL1715860 0.84 LRRK2 (0.62) SMG1LRRK2PDE4DABL1TBK1
SCHEMBL20004324 0.80 LRRK2 (0.53) SMG1LRRK2STK4STK3PRKDC
SCHEMBL248414 0.79 LRRK2 (0.56) SMG1LRRK2PDE4DTBK1MST1
SCHEMBL1443007 0.78 PDE4D (0.55) SMG1LRRK2PDE4DKCNH2TNIK
SCHEMBL30481277 0.77 PDE4D (0.66) LRRK2PDE4DKDM4E
SCHEMBL16025486 0.77 LRRK2 (0.86) LRRK2ABL1
SCHEMBL31438228 0.76 SMG1 (0.56) SMG1LRRK2PIK3CA
SCHEMBL31554954 0.75 PIK3CA (0.73) SMG1LRRK2PRKDCPIK3CA
SCHEMBL16022908 0.75 LRRK2 (1.00) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 SMG1 3939/4885LRRK2 2338/4885PDE4D 706/4885

“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.