SCHEMBL5869009

SCHEMBL5869009

Cc1cn(-c2nc(C(=O)CC(=O)Nc3cc(-c4ccc(F)cc4)ccc3NC(=O)OC(C)(C)C)cs2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KCNQ4 P56696 3/20 0.37
KCNQ5 Q9NR82 3/20 0.37
CYP17A1 P05093 1/20 0.36
WNT3A P56704 2/20 0.34
LDHA P00338 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GSK3B P49841 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
SCHEMBL5869160 0.89 LDHA (0.37) TLR9TLR8TLR7CYP17A1LDHA
SCHEMBL5868977 0.88 CYP17A1 (0.39) TLR9TLR8TLR7KCNQ4KCNQ5
SCHEMBL5868857 0.81 MAPK13 (0.41) TLR9TLR8TLR7KCNQ4KCNQ5
SCHEMBL7459709 0.80 KCNQ4 (0.37) TLR9TLR8TLR7KCNQ4KCNQ5
SCHEMBL5868815 0.77 CHEK1 (0.40) TLR9TLR8TLR7CYP17A1LDHA
SCHEMBL5869050 0.75 ALDH1A1 (0.36) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL5868756 0.72 KCNQ4 (0.44) KCNQ4KCNQ5CYP17A1TDP1LMNA
SCHEMBL5869056 0.71 CYP17A1 (0.44) TLR9TLR8TLR7KCNQ4KCNQ5
SCHEMBL5869229 0.71 KCNQ4 (0.39) TLR9TLR8TLR7KCNQ4KCNQ5
SCHEMBL5869088 0.71 KCNQ4 (0.40) KCNQ4KCNQ5GPR142

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 TLR9 1431/4885TLR8 2083/4885TLR7 1151/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 TLR9 1302/4885TLR8 1698/4885TLR7 1000/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 TLR9 1302/4885TLR8 1698/4885TLR7 1000/4885

“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.