SCHEMBL5869088

SCHEMBL5869088

Cc1cn(-c2cccc(C(=O)CC(=O)Nc3cc(C#Cc4ccc(F)cc4)ccc3NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.40
KCNQ5 Q9NR82 3/20 0.40
MAPK13 O15264 1/20 0.39
USP30 Q70CQ3 1/20 0.37
KIT P10721 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
ABL1 P00519 4/20 0.36
GPR142 Q7Z601 1/20 0.35
BCR P11274 3/20 0.35
NR2E1 Q9Y466 3/20 0.35

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
SCHEMBL5868857 0.90 MAPK13 (0.41) KCNQ4KCNQ5MAPK13USP30GPR142
SCHEMBL5869020 0.88 ABL1 (0.41) KCNQ4KCNQ5KITDDR1ABL1
SCHEMBL5868994 0.85 KCNQ4 (0.40) KCNQ4KCNQ5
SCHEMBL5868947 0.84 KCNQ4 (0.40) KCNQ4KCNQ5
SCHEMBL5868817 0.81 ABL1 (0.40) KITDDR1ABL1
SCHEMBL5868878 0.81 KCNQ4 (0.44) KCNQ4KCNQ5
SCHEMBL5562661 0.81 KCNQ4 (0.42) KCNQ4KCNQ5
SCHEMBL7459594 0.81 KCNQ4 (0.40) KCNQ4KCNQ5
SCHEMBL7465214 0.81 VCP (0.45) KCNQ4KCNQ5
SCHEMBL5868923 0.80 BRD9 (0.35)

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 KCNQ4 972/4885KCNQ5 805/4885MAPK13 3344/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KCNQ4 673/4885KCNQ5 628/4885MAPK13 3571/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KCNQ4 673/4885KCNQ5 628/4885MAPK13 3571/4885

“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.