SCHEMBL3039618

SCHEMBL3039618

CCn1nc(-c2cccnc2)c(C(=O)COC)c(Nc2cccc(F)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
PDE4B Q07343 4/20 0.44
TAAR1 Q96RJ0 1/20 0.38
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
CSNK1E P49674 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ATR Q13535 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.36
SRC P12931 1/20 0.35

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
SCHEMBL6177883 0.94 PDE4B (0.41) TBXAS1PDE4BTAAR1ABL1BCR
SCHEMBL1652540 0.89 PDE4B (0.56) TBXAS1PDE4BTAAR1ABL1BCR
SCHEMBL3033404 0.81 PDE4B (0.56) TBXAS1PDE4BTAAR1CSNK1E
SCHEMBL4052442 0.81 PDE4B (0.52) TBXAS1PDE4BTAAR1CSNK1ELMNA
SCHEMBL3033125 0.81 PDE4B (0.48) PDE4BCYP1A1CYP1A2CYP1B1LMNA
SCHEMBL4052874 0.80 PDE4B (0.44) TBXAS1PDE4BTAAR1CSNK1ENPC1
SCHEMBL4707336 0.80 PDE4B (0.56) PDE4BLMNA
SCHEMBL1652591 0.80 PDE4B (0.43) TBXAS1PDE4BRXFP1CYP1A2ABCG2
SCHEMBL1653053 0.80 PDE4B (0.47) PDE4BCYP1A1CYP1A2CYP1B1LMNA
SCHEMBL4682246 0.80 PDE4B (0.47) PDE4BCSNK1ECYP1A1CYP1A2CYP1B1

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 TBXAS1 454/4885PDE4B 5/4885TAAR1 592/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B TBXAS1 384/4885PDE4B 4/4885TAAR1 703/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B TBXAS1 454/4885PDE4B 5/4885TAAR1 592/4885

“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.