SCHEMBL4630249

SCHEMBL4630249

Cc1cc(C#Cc2cn(-c3nccc(C(F)(F)F)n3)c(C)n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.61
ADRB1 P08588 1/20 0.36
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
OGA O60502 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL2174518 0.89 GRM5 (0.48) GRM5ADRB1FFAR1KDM4EALDH1A1
SCHEMBL4630241 0.86 GRM5 (0.69) GRM5FFAR1GABRPGABRDGABRA1
SCHEMBL1021904 0.85 GRM5 (0.47) GRM5ADRB1
SCHEMBL28763801 0.85 GRM5 (0.69) GRM5FFAR1PSEN1PSEN2APH1B
SCHEMBL4631007 0.84 GRM5 (0.62) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL4629690 0.84 GRM5 (0.74) GRM5FFAR1GABRPGABRDGABRA1
SCHEMBL4630245 0.82 GRM5 (0.68) GRM5FFAR1GABRPGABRDGABRA1
SCHEMBL4629674 0.82 GRM5 (0.70) GRM5FFAR1GABRPGABRDGABRA1
SCHEMBL4630585 0.81 GRM5 (0.78) GRM5
SCHEMBL4630147 0.81 GRM5 (0.62) GRM5FFAR1OGAGABRPGABRD

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 10/4885ADRB1 515/4885FFAR1 817/4885

“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.