SCHEMBL1625253

SCHEMBL1625253

O=c1[nH]c(COCCc2ccc(F)c(Cl)c2)nc2nccnc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.56
PARP1 P09874 1/20 0.40
DAO P14920 1/20 0.39
GRM4 Q14833 2/20 0.35
TRAP1 Q12931 2/20 0.34

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
SCHEMBL1624799 0.85 HCAR2 (0.76) HCAR2DAO
SCHEMBL1624625 0.84 HCAR2 (0.46) HCAR2PARP1DAO
SCHEMBL1867462 0.82 HCAR2 (0.58) HCAR2PARP1DAOTRAP1
SCHEMBL1623176 0.82 HCAR2 (0.56) HCAR2
SCHEMBL1625635 0.82 HCAR2 (0.57) HCAR2PARP1DAOTRAP1
SCHEMBL1866837 0.81 HCAR2 (0.56) HCAR2PARP1DAOTRAP1
SCHEMBL1624845 0.81 HCAR2 (0.57) HCAR2
SCHEMBL1871456 0.79 HCAR2 (0.54) HCAR2PARP1DAO
SCHEMBL9191469 0.74 HCAR2 (0.47) HCAR2
SCHEMBL1624853 0.72 HCAR2 (0.66) HCAR2DAO

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 47/4885PARP1 1443/4885DAO 1830/4885

“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.