SCHEMBL5557258

SCHEMBL5557258

Cc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(C)cc3NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.39
POLB P06746 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
WNT3A P56704 1/20 0.36
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
HPGD P15428 1/20 0.36
CYP17A1 P05093 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
SCHEMBL5562754 0.92 AAK1 (0.38) CDK8POLBAAK1WNT3AHPGD
SCHEMBL5562713 0.92 MEN1 (0.40) CDK8POLBAAK1
SCHEMBL5562149 0.91 SCN5A (0.43) POLBSCN5ASCN9ACYP17A1
SCHEMBL5562285 0.91 SCN5A (0.43) POLBSCN5ASCN9ACYP17A1
SCHEMBL5557947 0.91 AAK1 (0.42) CDK8POLBAAK1
SCHEMBL5563272 0.91 PSEN1 (0.37) CDK8POLBAAK1WNT3A
SCHEMBL5558152 0.90 POLB (0.36) CDK8POLBAAK1WNT3ASCN5A
SCHEMBL5564082 0.90 AAK1 (0.43) POLBAAK1WNT3ASCN5ASCN9A
SCHEMBL5562819 0.90 AAK1 (0.39) POLBAAK1
SCHEMBL5556303 0.90 AAK1 (0.36) CDK8POLBAAK1WNT3A

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 CDK8 2388/4885POLB 1609/4885AAK1 2928/4885

“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.