Sugi Predict

Sugi Predict / Compounds / SCHEMBL994138

SCHEMBL994138

SCHEMBL994138

Cc1onc2c(=O)[nH]nc(-c3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL4681966 0.87 MAPT (0.38) MAPTGAAALDH1A1NPSR1ATM
SCHEMBL3028596 0.86 NOTUM (0.45) MAPTGAAALDH1A1CDK8CDK5
SCHEMBL1377025 0.86 MAPK1 (0.46) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL3033408 0.86 PTGS2 (0.42) MAPTGAAALDH1A1PTGS2KDM4E
SCHEMBL3036670 0.85 MAP2K4 (0.45) ALDH1A1KDM4E
SCHEMBL3033106 0.84 PTGS1 (0.50) MAPTALDH1A1ATMPTGS1PTGS2
SCHEMBL2821218 0.84 CACNA1F (0.41) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL3032907 0.84 NOTUM (0.43) MAPTGAAALDH1A1NPSR1KMT2A
SCHEMBL4706931 0.84 NPSR1 (0.50) MAPTGAAALDH1A1NPSR1ATM
SCHEMBL4708510 0.83 ROCK1 (0.36) MAPTGAAALDH1A1PTGS2ROCK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 — — EP claimed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 — — US claimed
EP-2125830-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLOÝ3,4-D¨PYRIDAZIN-7(6H)-ONE Almirall, S.A. (ES) 2009-12-02 — — EP claimed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 — — WO claimed
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 — — EP disclosed
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 — — EP disclosed
EP-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 — — EP disclosed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 — — US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 — — US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 — — US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 — — US disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 — — US disclosed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 — — WO disclosed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 — — WO disclosed
WO-2008107064-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL S.A. (ES) 2008-09-12 — — WO 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
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 (4 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-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B MAPT 4236/4885GAA 1323/4885ALDH1A1 451/4885
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE HPD, CYP4F11, CYP4F8 MAPT 2245/4885GAA 3073/4885ALDH1A1 215/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B MAPT 3692/4885GAA 340/4885ALDH1A1 525/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MAPT 4154/4885GAA 1143/4885ALDH1A1 444/4885

“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.