SCHEMBL4630252

SCHEMBL4630252

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.72
KCNH2 Q12809 2/20 0.43
ADRB3 P13945 1/20 0.43
TSPO P30536 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GPR35 Q9HC97 1/20 0.43
RXRA P19793 7/20 0.43
GRIN1 Q05586 7/20 0.43
GRIN2B Q13224 7/20 0.43
DYRK1A Q13627 1/20 0.39
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL4630041 0.85 GRM5 (0.75) GRM5KCNH2
SCHEMBL4630177 0.84 GRM5 (1.00) GRM5KCNH2
SCHEMBL4629672 0.81 GRM5 (1.00) GRM5
SCHEMBL4630585 0.80 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630732 0.78 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4631050 0.78 GRM5 (0.74) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630148 0.78 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630257 0.78 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630909 0.77 GRM5 (0.81) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630692 0.77 GRM5 (0.77) GRM5KCNH2ADRB3TSPOTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US 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 10/4885KCNH2 393/4885ADRB3 918/4885

“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.