Sugi Predict

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SCHEMBL4053252

SCHEMBL4053252

CCn1nc(-c2ccccc2)c(COC(C)=O)c(Nc2cccnc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.51
▸ TBXAS1 P24557 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL4062737 0.90 ALDH1A1 (0.48) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4052404 0.86 PDE4B (0.55) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL3036709 0.84 PDE4B (0.71) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4050108 0.83 PDE4B (0.63) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4053547 0.83 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4054904 0.82 PDE4B (0.57) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4050336 0.82 PDE4B (0.53) PDE4BTBXAS1ALDH1A1L3MBTL1PDE4A
SCHEMBL4052637 0.81 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4049804 0.81 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL4054383 0.81 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 — — US disclosed
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 — — US disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 — — EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 — — 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 (1 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-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A PDE4B 5/4885TBXAS1 498/4885ALDH1A1 193/4885

“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.