SCHEMBL5558464

SCHEMBL5558464

CCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccnc(C(F)(F)F)c3)c2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
AAK1 Q2M2I8 9/20 0.39
GRM2 Q14416 2/20 0.38
EPHB4 P54760 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
RET P07949 1/20 0.35

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
SCHEMBL5562928 0.94 AAK1 (0.43) SYKAAK1POLB
SCHEMBL5559816 0.93 GRM2 (0.46) SYKAAK1GRM2POLBLMNA
SCHEMBL5563518 0.92 GRM2 (0.44) AAK1GRM2EPHB4POLBLMNA
SCHEMBL5563534 0.91 AAK1 (0.41) SYKAAK1GRM2POLBLMNA
SCHEMBL5558292 0.91 AAK1 (0.42) SYKAAK1GRM2
SCHEMBL5561615 0.89 SYK (0.38) SYKAAK1POLB
SCHEMBL5562845 0.89 SCN5A (0.42) AAK1LMNA
SCHEMBL5562747 0.89 AAK1 (0.41) SYKAAK1GRM2EPHB4POLB
SCHEMBL5557312 0.89 SCN9A (0.44) AAK1POLBLMNAKMT2A
SCHEMBL5563957 0.89 SCN5A (0.38) SYKAAK1POLBKMT2A

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 SYK 3082/4885AAK1 2928/4885GRM2 140/4885

“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.