SCHEMBL3247997

SCHEMBL3247997

NC(=O)c1nc2ncccc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 18/20 0.55
PARP1 P09874 2/20 0.45
AURKA O14965 1/20 0.44
HCAR3 P49019 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
SCHEMBL11667578 0.85 HCAR2 (0.56) HCAR2PARP1AURKAHCAR3
SCHEMBL11574746 0.81 HCAR2 (0.52) HCAR2PARP1AURKAHCAR3
SCHEMBL8197644 0.81 HCAR2 (0.55) HCAR2PARP1AURKAHCAR3
SCHEMBL9451655 0.80 HCAR2 (0.55) HCAR2PARP1HCAR3
SCHEMBL11794359 0.80 HCAR2 (0.61) HCAR2PARP1AURKAHCAR3
SCHEMBL10984818 0.78 HCAR2 (0.59) HCAR2PARP1AURKA
SCHEMBL30943978 0.78 NUDT1 (0.58) AURKA
SCHEMBL853165 0.78 NUDT1 (0.58) AURKA
SCHEMBL4932342 0.77 HCAR2 (0.50) HCAR2
SCHEMBL941961 0.77 QTRT1 (0.59) PARP1

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 14 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
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
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 HCAR2 7/4885PARP1 1107/4885AURKA 2453/4885

“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.