SCHEMBL3036743

SCHEMBL3036743

CCn1nc(-c2cccnc2)c(C(C)=O)c(N(c2ccc(CO)cc2)c2ccc(CO)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.50
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDE4B Q07343 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
VHL P40337 2/20 0.37
FYN P06241 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GAA P10253 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
SCHEMBL3036725 0.86 TBXAS1 (0.47) TBXAS1PDE4BSMN1; SMN2ALDH1A1
SCHEMBL3033939 0.84 TBXAS1 (0.47) TBXAS1PDE4BSMN1; SMN2CYP3A4CYP2A6
SCHEMBL3027414 0.83 TBXAS1 (0.45) TBXAS1PDE4BSMN1; SMN2CYP3A4CYP2C9
SCHEMBL3039540 0.82 PDE4B (0.63) TBXAS1MKNK1MKNK2PDE4BSMN1; SMN2
SCHEMBL3022210 0.80 SLC2A1 (0.41) TBXAS1PDE4BSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3040791 0.78 TBXAS1 (0.59) TBXAS1PDE4BSMN1; SMN2CYP3A4CYP2A6
SCHEMBL4706054 0.73 PDE4B (0.50) PDE4BSMN1; SMN2TP53ADORA1
SCHEMBL1652085 0.73 PDE4B (0.63) TBXAS1PDE4BSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3022657 0.73 PDE4A (0.48) TBXAS1ALDH1A1L3MBTL1
SCHEMBL4709062 0.73 PDE4B (0.52) PDE4BSMN1; SMN2TP53ADORA1

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 13 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
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US claimed
JP-2006515302-A 2006-05-25 JP claimed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP claimed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO 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
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 TBXAS1 454/4885MKNK1 4115/4885MKNK2 3633/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B TBXAS1 384/4885MKNK1 4268/4885MKNK2 3768/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B TBXAS1 454/4885MKNK1 4115/4885MKNK2 3633/4885

“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.