SCHEMBL3028548

SCHEMBL3028548

Nc1cnc(O)c2cnccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.53
KAT2B Q92831 1/20 0.53
KAT8 Q9H7Z6 1/20 0.53
AXL P30530 1/20 0.44
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
IMPDH2 P12268 4/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1133874 0.77 IDO1 (0.46) EP300KAT2BKAT8KDM4EPOLB
SCHEMBL27752552 0.76 EP300 (0.40) EP300KAT2BKAT8AXLKDM4E
SCHEMBL13219620 0.76 EP300 (0.40) EP300KAT2BKAT8AXLKDM4E
SCHEMBL21436749 0.75 AXL (0.52) EP300KAT2BKAT8AXLKDM4E
SCHEMBL6518422 0.73 EP300 (0.85) EP300KAT2BKAT8AXLKDM4E
SCHEMBL5894746 0.73 AXL (0.72) EP300KAT2BKAT8AXLKDM4E
SCHEMBL3690210 0.72 EP300 (0.47) EP300KAT2BKAT8AXLKDM4E
SCHEMBL3361006 0.69 EP300 (1.00) EP300KAT2BKAT8AXLKDM4E
SCHEMBL30152344 0.69 EP300 (1.00) EP300KAT2BKAT8AXLKDM4E
SCHEMBL3029579 0.69 HIPK2 (0.47) KDM4EPOLBHTTLMNAGAA

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
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 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 (3 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B EP300 1568/4885KAT2B 3116/4885KAT8 3560/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B EP300 1685/4885KAT2B 3355/4885KAT8 3929/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B EP300 1568/4885KAT2B 3116/4885KAT8 3560/4885

“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.