SCHEMBL1875907

SCHEMBL1875907

O=c1[nH]c(COCCc2cc(F)ccc2F)nc2ncc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.57
PARP1 P09874 2/20 0.37
PARP3 Q9Y6F1 2/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1867522 0.92 HCAR2 (0.59) HCAR2PARP1PARP3
SCHEMBL1868529 0.88 HCAR2 (0.69) HCAR2POLBATML3MBTL1
SCHEMBL1869309 0.87 HCAR2 (0.54) HCAR2PARP1PARP3L3MBTL1
SCHEMBL1871957 0.85 HCAR2 (0.52) HCAR2PARP1
SCHEMBL1867462 0.84 HCAR2 (0.58) HCAR2PARP1NPC1RAB9A
SCHEMBL1868525 0.83 HCAR2 (0.75) HCAR2NPC1RAB9A
SCHEMBL1869816 0.82 HCAR2 (0.57) HCAR2PARP1PARP3L3MBTL1
SCHEMBL1869993 0.82 HCAR2 (0.72) HCAR2NPC1RAB9A
SCHEMBL1624845 0.80 HCAR2 (0.57) HCAR2L3MBTL1
SCHEMBL1875944 0.79 HCAR2 (0.77) HCAR2NPC1RAB9A

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 7/4885PARP1 1107/4885PARP3 2972/4885

“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.