SCHEMBL3022657

SCHEMBL3022657

CC(=O)c1c(-c2cccnc2)nn(CC2CC2)c(=O)c1N(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
CRHR1 P34998 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTGIR P43119 1/20 0.40
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
EP300 Q09472 1/20 0.38
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
TBXAS1 P24557 1/20 0.36
MAT2A P31153 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 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
SCHEMBL3033063 0.93 PDE4A (0.43) PDE4ACRHR1CRHR2PTGIRBRD4
SCHEMBL3029486 0.91 PDE4A (0.46) PDE4APTGIRBRD4CREBBPEP300
SCHEMBL3032335 0.81 PDE4A (0.48) PDE4ACRHR1CRHR2PTGIRBRD4
SCHEMBL4708980 0.78 PDE4B (0.48) PDE4AHTR1A
SCHEMBL3033400 0.78 PDE4A (0.52) PDE4ACRHR1CRHR2PTGIRBRD4
SCHEMBL3033939 0.78 TBXAS1 (0.47) TBXAS1KCNH2
SCHEMBL3041455 0.78 CSF1R (0.47) PDE4ACRHR1CRHR2BRD4CREBBP
SCHEMBL3039917 0.78 PDE4B (0.45) PDE4ACRHR1CRHR2PTGIRBRD4
SCHEMBL3027414 0.78 TBXAS1 (0.45) TBXAS1ALDH1A1L3MBTL1
SCHEMBL3037443 0.74 PDE4B (0.43) PDE4ACRHR1CRHR2PTGIRBRD4

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
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
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 PDE4A 1/4885CRHR1 1925/4885CRHR2 2049/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4A 2/4885CRHR1 2200/4885CRHR2 2203/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4A 1/4885CRHR1 1925/4885CRHR2 2049/4885

“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.