SCHEMBL1869690

SCHEMBL1869690

O=C(CCc1cccc(F)c1)NCc1nc2ncccc2c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.78
PANK1 Q8TE04 1/20 0.52
PANK3 Q9H999 1/20 0.52
ENPP2 Q13822 1/20 0.51
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
GLA P06280 1/20 0.48
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3252085 0.88 HCAR2 (0.78) HCAR2MAPTPOLBGLA
SCHEMBL1867083 0.88 HCAR2 (0.78) HCAR2PANK1PANK3MAPTPOLB
SCHEMBL1870445 0.88 HCAR2 (1.00) HCAR2ENPP2MAPTPOLBGLA
SCHEMBL3252100 0.86 HCAR2 (0.74) HCAR2ENPP2MAPTPOLBGLA
SCHEMBL1868331 0.83 HCAR2 (0.82) HCAR2ENPP2MAPTPOLBGLA
SCHEMBL1875106 0.82 HCAR2 (0.88) HCAR2MAPTPOLBGLA
SCHEMBL1872416 0.80 HCAR2 (0.71) HCAR2MAPTPOLBGLA
SCHEMBL1873195 0.79 HCAR2 (0.76) HCAR2MAPTPOLBGLA
SCHEMBL1866353 0.78 HCAR2 (1.00) HCAR2
SCHEMBL1625050 0.77 HCAR2 (0.48) HCAR2ENPP2KDM4EHSD17B10

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 7/4885PANK1 639/4885PANK3 1292/4885

“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.