SCHEMBL6435938

SCHEMBL6435938

CC(C)(C)OC(=O)Nc1cc(N2CCSCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
AR P10275 4/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
ACACB O00763 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
THRB P10828 1/20 0.32
WDR5 P61964 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
POLB P06746 2/20 0.31
AOC3 Q16853 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6163340 0.93 SCN10A (0.37) KDRARSCN10AACACBAAK1
SCHEMBL6165622 0.93 SCN10A (0.39) KDRARSCN10AACACBJAK3
SCHEMBL6435489 0.91 THRB (0.41) THRBJAK2JAK3LMNA
SCHEMBL6435476 0.84 KDR (0.36) KDRARAAK1POLB
SCHEMBL6165337 0.83 MAPT (0.37) SCN10AJAK3
SCHEMBL6434527 0.83 AAK1 (0.38) KDRARAAK1
SCHEMBL6163566 0.82 KDR (0.35) KDRARAAK1POLBLMNA
SCHEMBL6163857 0.82 AAK1 (0.40) KDRAAK1
SCHEMBL6433039 0.82 AAK1 (0.37) KDRARAAK1LMNA
SCHEMBL6608517 0.82 SCN10A (0.40) KDRSCN10AACACBTHRBWDR5

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-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 KDR 4268/4885AR 3368/4885SCN10A 379/4885

“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.