SCHEMBL5557563

SCHEMBL5557563

CNc1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.45
BCR P11274 5/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
KDR P35968 1/20 0.40
ADORA2A P29274 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38

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
SCHEMBL5564018 0.86 AAK1 (0.48) ABL1BCRMAPTTP53LMNA
SCHEMBL5557721 0.85 CYP1A2 (0.47) ABL1BCRMAPTTP53LMNA
SCHEMBL5557028 0.85 ASIC3 (0.43) ABL1BCRMAPTTP53LMNA
SCHEMBL5562447 0.83 CYP1A2 (0.48) ABL1BCRMAPTTP53LMNA
SCHEMBL27615867 0.83 TP53 (0.48) ABL1BCRMAPTTP53LMNA
SCHEMBL5559626 0.81 ROCK1 (0.41) ABL1MAPK1KDRACACBACACA
SCHEMBL5562300 0.80 KAT6A (0.44) ACACBACACA
SCHEMBL5558795 0.79 KAT6A (0.41) MAPTMAPK1KDM4EACACBACACA
SCHEMBL5564129 0.78 MAPT (0.53) ABL1BCRMAPTTP53LMNA
SCHEMBL5562095 0.78 ABL1 (0.48) ABL1KDRACACBACACA

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 ABL1 1860/4885BCR 2127/4885MAPT 1336/4885

“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.