SCHEMBL3028604

SCHEMBL3028604

CCn1nc(-c2ccncc2)c(C(C)=O)c(Nc2ccc(C(=O)OC)cc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.68
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
NAMPT P43490 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RAF1 P04049 1/20 0.37
METAP2 P50579 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
SCHEMBL1651197 0.91 PDE4B (0.63) PDE4BMAPTALDH1A1HPGDKDM4E
SCHEMBL4706947 0.91 PDE4B (0.83) PDE4BMAPTALDH1A1HPGDKDM4E
SCHEMBL1652226 0.90 PDE4B (0.84) PDE4BMAPTALDH1A1HPGDKDM4E
SCHEMBL3033380 0.89 PDE4B (0.67) PDE4BMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4706090 0.87 PDE4B (0.65) PDE4BMAPTALDH1A1HPGDKDM4E
SCHEMBL3033360 0.87 PDE4B (0.61) PDE4BMAPTALDH1A1HPGDKDM4E
SCHEMBL4708373 0.86 PDE4B (0.63) PDE4BMAPTALDH1A1HPGDKDM4E
SCHEMBL3028282 0.86 PDE4B (0.65) PDE4BMAPTFPR1FPR2SMN1; SMN2
SCHEMBL1654205 0.84 PDE4B (0.78) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL3033348 0.84 PDE4B (0.53) PDE4BMAPTALDH1A1HPGDMEN1

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 12 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 claimed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US claimed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US claimed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US claimed
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 PDE4B 5/4885MAPT 4154/4885ALDH1A1 444/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885MAPT 4236/4885ALDH1A1 451/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885MAPT 4154/4885ALDH1A1 444/4885

“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.