SCHEMBL3039641

SCHEMBL3039641

CCn1nc(-c2ccc3occc3c2)c(C(C)=O)c(Nc2cccc(F)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
CNR1 P21554 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DYRK1A Q13627 1/20 0.35
BUB1 O43683 2/20 0.35
CFTR P13569 2/20 0.35
IL2 P60568 1/20 0.34
IDO1 P14902 1/20 0.34
RIPK1 Q13546 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
PTK6 Q13882 1/20 0.33

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
SCHEMBL4708777 0.88 PDE4B (0.62) PDE4BSMN1; SMN2BUB1RIPK1CDK4
SCHEMBL4706107 0.86 PDE4B (0.70) PDE4BSMN1; SMN2RIPK1
SCHEMBL4709794 0.84 PDE4B (0.57) PDE4BSMN1; SMN2
SCHEMBL4705837 0.83 PDE4B (0.56) PDE4BSMN1; SMN2RIPK1CDK4CCND1
SCHEMBL4706986 0.82 PDE4B (0.57) PDE4BSMN1; SMN2
SCHEMBL4706532 0.82 PDE4B (0.57) PDE4BSMN1; SMN2
SCHEMBL1653670 0.82 PDE4B (0.59) PDE4BSMN1; SMN2BUB1IDO1
SCHEMBL1652540 0.81 PDE4B (0.56) PDE4BCDK4CCND1CCND2CCND3
SCHEMBL4706063 0.81 PDE4B (0.54) PDE4BSMN1; SMN2CFTR
SCHEMBL4705775 0.81 PDE4B (0.58) PDE4BBUB1

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 10 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

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 5/4885CNR1 2310/4885SMN1; SMN2 3744/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885CNR1 2579/4885SMN1; SMN2 3892/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885CNR1 2310/4885SMN1; SMN2 3744/4885

“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.