SCHEMBL4630129

SCHEMBL4630129

Cc1cc(C#Cc2cn(-c3cccc(C)n3)c(C)n2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.70
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL4631082 0.89 GRM5 (0.65) GRM5
SCHEMBL2175567 0.89 GRM5 (0.56) GRM5
SCHEMBL4629707 0.89 GRM5 (0.69) GRM5
SCHEMBL4630880 0.88 GRM5 (0.73) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4629714 0.87 GRM5 (0.63) GRM5
SCHEMBL4629675 0.87 GRM5 (0.63) GRM5
SCHEMBL4630260 0.87 GRM5 (0.63) GRM5
SCHEMBL4630226 0.86 GRM5 (0.61) GRM5KDM4E
SCHEMBL4631007 0.86 GRM5 (0.62) GRM5
SCHEMBL4629725 0.86 GRM5 (0.55) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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 9 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
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 10/4885NPC1 1276/4885RAB9A 1914/4885

“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.