SCHEMBL1624031

SCHEMBL1624031

O=C(NCc1nc2nccnc2c(=O)[nH]1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.50
TNKS2 Q9H2K2 2/20 0.50
HCAR2 Q8TDS4 2/20 0.50
NOS1 P29475 1/20 0.47
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
PLAU P00749 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL1872957 0.86 HCAR2 (0.69) TNKSTNKS2HCAR2
SCHEMBL13465239 0.82 HCAR2 (0.49) TNKSTNKS2HCAR2LMNASMN1; SMN2
SCHEMBL1624743 0.81 HCAR2 (0.74) TNKS2HCAR2POLB
SCHEMBL1624485 0.81 TNKS (0.53) TNKSTNKS2HCAR2LMNASMN1; SMN2
SCHEMBL1872954 0.79 TNKS (0.54) TNKSTNKS2HCAR2LMNASMN1; SMN2
SCHEMBL3257381 0.79 TNKS (0.52) TNKSTNKS2HCAR2NOS1LMNA
SCHEMBL3250981 0.78 TNKS (0.53) TNKSTNKS2HCAR2LMNASMN1; SMN2
SCHEMBL1872683 0.78 TNKS (0.51) TNKSTNKS2HCAR2NOS1LMNA
SCHEMBL1866242 0.78 TNKS (0.51) TNKSTNKS2HCAR2NOS1
SCHEMBL8328475 0.76 TNKS (0.46) TNKSTNKS2LMNASMN1; SMN2PLAU

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 TNKS 2102/4885TNKS2 2458/4885HCAR2 47/4885

“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.