SCHEMBL5557633

SCHEMBL5557633

CN(C)c1ccc(-c2cccc(C#N)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.54
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
APP P05067 1/20 0.49
LRRK2 Q5S007 1/20 0.47
GABRG2 P18507 5/20 0.46
GABRB3 P28472 5/20 0.46
GABRA5 P31644 5/20 0.46
GABRA3 P34903 5/20 0.46
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
MAP4K4 O95819 1/20 0.45
GABRA1 P14867 1/20 0.44

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
SCHEMBL18223770 0.80 CLK4 (0.54) CLK4CYP1A2ALDH1A1CYP3A4LRRK2
SCHEMBL3266198 0.80 CLK4 (0.53) CLK4CYP1A2ALDH1A1CYP3A4GABRG2
SCHEMBL5562878 0.79 GABRG2 (0.52) CLK4CYP1A2ALDH1A1CYP3A4GABRG2
SCHEMBL8265012 0.78 APP (0.50) APPMAP4K4NPC1POLBGAA
SCHEMBL5562910 0.76 MAP4K4 (0.62) CLK4CYP1A2ALDH1A1CYP3A4GABRG2
SCHEMBL4021783 0.76 CYP11B2 (0.56) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL980427 0.76 MAP4K4 (0.62) APPMEN1MAP4K4NPC1POLB
SCHEMBL30866464 0.76 MAP4K4 (0.62) APPMEN1MAP4K4NPC1POLB
SCHEMBL6923115 0.76 CLK4 (0.53) CLK4CYP1A2ALDH1A1CYP3A4GABRG2
SCHEMBL3881340 0.76 CLK4 (0.53) CLK4CYP1A2ALDH1A1CYP3A4GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497333-C Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
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
CN-1633430-A Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2005-06-29 CN 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 CLK4 4289/4885CYP1A2 34/4885ALDH1A1 314/4885

“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.