SCHEMBL1870445

SCHEMBL1870445

O=C(CCc1ccccc1)NCc1nc2ncccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 1.00
MAPT P10636 2/20 0.58
GLA P06280 1/20 0.58
POLB P06746 1/20 0.58
TNKS2 Q9H2K2 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TNKS O95271 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
TP53 P04637 1/20 0.48
ENPP2 Q13822 1/20 0.47

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
SCHEMBL1875106 0.94 HCAR2 (0.88) HCAR2MAPTGLAPOLBTNKS2
SCHEMBL1868331 0.90 HCAR2 (0.82) HCAR2MAPTGLAPOLBTP53
SCHEMBL1867083 0.88 HCAR2 (0.78) HCAR2MAPTGLAPOLBTNKS2
SCHEMBL1869690 0.88 HCAR2 (0.78) HCAR2MAPTGLAPOLBENPP2
SCHEMBL3252085 0.88 HCAR2 (0.78) HCAR2MAPTGLAPOLBTP53
SCHEMBL1868183 0.86 HCAR2 (0.76) HCAR2MAPTGLAPOLB
SCHEMBL1873195 0.86 HCAR2 (0.76) HCAR2MAPTGLAPOLBTNKS
SCHEMBL1623393 0.86 HCAR2 (0.75) HCAR2MAPTGLAPOLBTNKS2
SCHEMBL1624743 0.85 HCAR2 (0.74) HCAR2MAPTGLAPOLBTNKS2
SCHEMBL3252100 0.85 HCAR2 (0.74) HCAR2MAPTGLAPOLBTP53

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 7/4885MAPT 4450/4885GLA 2137/4885

“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.