SCHEMBL6167518

SCHEMBL6167518

CC(C)(C)OC(=O)Nc1cc(N2CCC2)c(Cl)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
CHEK1 O14757 8/20 0.37
KMT2A Q03164 1/20 0.35
CSF1R P07333 1/20 0.34
DRD2 P14416 1/20 0.34
MAPK3 P27361 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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 0.89 SCN10A (0.37) JAK3BTKSCN10A
SCHEMBL6165337 0.88 MAPT (0.37) JAK3BTKCHEK1KMT2ACSF1R
SCHEMBL6685456 0.88 CHEK1 (0.38) CHEK1KMT2ASCN10A
SCHEMBL6165622 0.87 SCN10A (0.39) JAK3BTKSCN10A
SCHEMBL6164348 0.84 ATR (0.34) CHEK1JAK2JAK1
SCHEMBL6435489 0.82 THRB (0.41) JAK3KMT2AJAK2
SCHEMBL6435938 0.82 KDR (0.34) JAK3SCN10AJAK2JAK1
SCHEMBL5868899 0.80 AAK1 (0.35)
SCHEMBL17336523 0.80 MEN1 (0.43) KMT2A
SCHEMBL17336569 0.80 CYP17A1 (0.38) KMT2A

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 JAK3 3485/4885BTK 3797/4885CHEK1 4684/4885

“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.