SCHEMBL6436725

SCHEMBL6436725

CCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPK10 P53779 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CREBBP Q92793 1/20 0.39
NOTUM Q6P988 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL6437887 0.92 PTK2 (0.39) TSHRNOTUMMAPTPOLBMEN1
SCHEMBL6434623 0.89 NOTUM (0.39) MAPK10NOTUMPOLBKMT2AL3MBTL1
SCHEMBL6437848 0.88 NOTUM (0.43) ALDH1A1NOTUMPOLBMEN1KMT2A
SCHEMBL6164712 0.87 L3MBTL1 (0.38) MAPK10NOTUMPOLBL3MBTL1MAPK9
SCHEMBL6164277 0.85 L3MBTL1 (0.36) MAPK10ALDH1A1NOTUMPOLBMEN1
SCHEMBL6163979 0.85 NOTUM (0.35) MAPK10NOTUMPOLBL3MBTL1MAPK9
SCHEMBL6166867 0.83 L3MBTL1 (0.36) MAPK10NOTUMPOLBL3MBTL1MAPK9
SCHEMBL2316776 0.83 POLB (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6165283 0.83 NOTUM (0.34) TSHRMAPK10ALDH1A1NOTUMMAPT
SCHEMBL5557312 0.82 SCN9A (0.44) MAPTPOLBKMT2ALMNA

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 TSHR 3709/4885MAPK10 2661/4885ALDH1A1 422/4885

“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.