SCHEMBL1866472

SCHEMBL1866472

O=c1[nH]c(OCCOc2ccccc2)nc2ncccc12

nearest known ligand 0.92

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 18/20 0.92
HCAR3 P49019 1/20 0.65
KDM5C P41229 1/20 0.55
MAOB P27338 1/20 0.48

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
SCHEMBL1870319 0.96 HCAR2 (1.00) HCAR2HCAR3KDM5CMAOB
SCHEMBL1868028 0.87 HCAR2 (0.72) HCAR2HCAR3KDM5C
SCHEMBL1871669 0.85 HCAR2 (0.86) HCAR2HCAR3KDM5C
SCHEMBL1872222 0.85 HCAR2 (1.00) HCAR2HCAR3KDM5C
SCHEMBL1872119 0.85 HCAR2 (1.00) HCAR2HCAR3KDM5C
SCHEMBL1874159 0.85 HCAR2 (1.00) HCAR2HCAR3KDM5C
SCHEMBL1872300 0.85 HCAR2 (1.00) HCAR2HCAR3KDM5C
SCHEMBL1872825 0.84 HCAR2 (0.93) HCAR2HCAR3KDM5C
SCHEMBL1870754 0.83 HCAR2 (1.00) HCAR2HCAR3KDM5C
SCHEMBL1868339 0.82 HCAR2 (0.98) HCAR2HCAR3KDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP claimed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US claimed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP claimed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US claimed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
WO-2011057110-A1 GPR109A AGONISTS FOR THE TREATMENT OF CEREBRAL ISCHEMIA RUPRECHT-KARLS-UNIVERSITAT-HEIDELBERG (DE) 2011-05-12 WO disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 HCAR2 7/4885HCAR3 15/4885KDM5C 2936/4885

“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.