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Sugi Predict / Compounds / SCHEMBL1997033

SCHEMBL1997033

SCHEMBL1997033

CCn1nc(C(=O)OCOC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.35
▸ REN P00797 3/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ MAP1LC3A Q9H492 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NTSR1 P30989 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ ANPEP P15144 1/20 0.32

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
SCHEMBL1997036 1.00 AAK1 (0.35) AAK1RENMAP1LC3BMAP1LC3AEGFR
SCHEMBL2004906 0.85 CDC25B (0.33) MAPTNTSR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL2004904 0.85 CDC25B (0.33) MAPTNTSR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1997921 0.82 CDC25B (0.44) EGFRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1996168 0.81 ALDH1A1 (0.35) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL1994571 0.79 ADORA3 (0.40) EGFRMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2001626 0.77 TRPV1 (0.39) MAPTSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1997594 0.76 GABRA1 (0.40) MAPTSMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL2001982 0.76 POLR1A (0.40) MAPTALDH1A1KDM4E
SCHEMBL1995464 0.76 KMT2A (0.46) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960383-B2 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 SA (ES) 2011-06-14 — — US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 — — EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 — — US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 — — EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 — — 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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B AAK1 2185/4885REN 1278/4885MAP1LC3B 4249/4885

“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.