SCHEMBL1624712

SCHEMBL1624712

Cc1cccc(CCOCc2nc3ncncc3c(=O)[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.74
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.37
GRIN2B Q13224 1/20 0.37
GPR84 Q9NQS5 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
SCHEMBL1625617 0.88 HCAR2 (0.74) HCAR2PDE5AGRIN2B
SCHEMBL1871003 0.85 HCAR2 (1.00) HCAR2
SCHEMBL1870506 0.75 HCAR2 (0.77) HCAR2
SCHEMBL1875944 0.75 HCAR2 (0.77) HCAR2PDE5A
SCHEMBL1875679 0.74 HCAR2 (0.72) HCAR2PDE5A
SCHEMBL1870181 0.73 HCAR2 (1.00) HCAR2
SCHEMBL1867758 0.73 HCAR2 (1.00) HCAR2
SCHEMBL1866888 0.73 HCAR2 (1.00) HCAR2
SCHEMBL1870000 0.73 HCAR2 (0.69) HCAR2
SCHEMBL1866353 0.73 HCAR2 (1.00) HCAR2

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
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 EP claimed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 WO claimed
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 US claimed
US-7928106-B2 2-[2-(2,5-Difluoro-phenyl)-ethoxymethyl]-3H-pteridin-4-one; 2-2-(3-Fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one; (5-Oxo-5,6-dihydro-pyrimido[4,5-c]pyridazin-7-ylmethyl)-carbamic acid benzyl ester, useful in treating diseases which are modulated by HM74A agonists e.g. dyslipidemia HOFFMANN-LA ROCHE INC. (US) 2011-04-19 US disclosed
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 WO disclosed
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 US 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-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES CHRM1, CHRM2, CHRM4 HCAR2 47/4885PDE5A 339/4885ALDH1A1 543/4885

“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.