SCHEMBL4629672

SCHEMBL4629672

Cc1cc(C#Cc2cn(-c3cccc(C#N)c3)c(C)n2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 1.00

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
SCHEMBL2172448 0.89 GRM5 (0.80) GRM5
SCHEMBL4990286 0.87 GRM5 (0.77) GRM5
SCHEMBL4630084 0.87 GRM5 (1.00) GRM5
SCHEMBL4630177 0.85 GRM5 (1.00) GRM5
SCHEMBL4630041 0.82 GRM5 (0.75) GRM5
SCHEMBL4630909 0.81 GRM5 (0.81) GRM5
SCHEMBL4630252 0.81 GRM5 (0.72) GRM5
SCHEMBL1020980 0.81 GRM5 (0.67) GRM5
SCHEMBL4629690 0.79 GRM5 (0.74) GRM5
SCHEMBL4629674 0.79 GRM5 (0.70) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP claimed
CN-100358889-C Imidazol-4-yl-ethynyl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2008-01-02 CN claimed
CN-1759111-A Imidazol-4-yl-ethynyl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2006-04-12 CN claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
CN-100358889-C Imidazol-4-yl-ethynyl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2008-01-02 CN disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US disclosed
CN-1759111-A Imidazol-4-yl-ethynyl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2006-04-12 CN disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 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-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 GRM5 10/4885

“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.