SCHEMBL3033408

SCHEMBL3033408

Cc1onc2c(=O)[nH]nc(-c3ccc(F)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
NR3C2 P08235 1/20 0.40
ALPL P05186 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NOTUM Q6P988 1/20 0.38
ROCK1 Q13464 1/20 0.37
MAPT P10636 2/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 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
SCHEMBL1377025 0.86 MAPK1 (0.46) ROCK1MAPTALDH1A1GAA
SCHEMBL994138 0.86 MAPT (0.49) PTGS2KDM4EROCK1MAPTALDH1A1
SCHEMBL4681966 0.84 MAPT (0.38) ROCK1MAPTALDH1A1GAA
SCHEMBL3032907 0.84 NOTUM (0.43) NOTUMMAPTGPBAR1ALDH1A1GAA
SCHEMBL4708510 0.84 ROCK1 (0.36) PTGS2ROCK1MAPTALDH1A1GAA
SCHEMBL1376313 0.84 GSK3A (0.50) PTGS2ALPLKDM4ENOTUMMAPT
SCHEMBL3022888 0.80 MAPK1 (0.57) KDM4EROCK1MAPTALDH1A1
SCHEMBL3028596 0.78 NOTUM (0.45) NOTUMROCK1MAPTKDRGPBAR1
SCHEMBL3027304 0.78 KIT (0.38) MAPTKDRALDH1A1GAABRD4
SCHEMBL3036670 0.77 MAP2K4 (0.45) ALPLKDM4EALDH1A1BRD4

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 8 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 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-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 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
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 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 (5 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 PTGS2 433/4885NR3C2 489/4885ALPL 1938/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PTGS2 292/4885NR3C2 514/4885ALPL 1932/4885
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PTGS2 207/4885NR3C2 1093/4885ALPL 585/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PTGS2 207/4885NR3C2 1093/4885ALPL 585/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PTGS2 433/4885NR3C2 489/4885ALPL 1938/4885

“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.