SCHEMBL4049939

SCHEMBL4049939

CCn1nc(-c2cccs2)c(C(=O)OCOC(=O)OC2CCCCC2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 7/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 3/20 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
SCHEMBL5336868 0.97 MAPK1 (0.34) ADORA1MAPK1CYP2C9ALDH1A1MAPT
SCHEMBL4057141 0.89 PDE4B (0.41) MAPK1ALDH1A1MAPTHTTGAA
SCHEMBL4051710 0.88 ADORA1 (0.35) ADORA1MAPK1ALDH1A1MAPTHTT
SCHEMBL4059427 0.87 ADORA1 (0.41) ADORA1MAPK1ALDH1A1MAPTHTT
SCHEMBL4050545 0.87 ADORA1 (0.38) ADORA1CYP2C9ALDH1A1MAPTHTT
SCHEMBL4053146 0.86 ADORA1 (0.43) ADORA1ALDH1A1MAPTHTTGAA
SCHEMBL4051430 0.84 MAPK1 (0.36) ADORA1MAPK1CYP2C9ALDH1A1MAPT
SCHEMBL4370564 0.84 ADORA1 (0.36) ADORA1CYP2C9ALDH1A1MAPTHTT
SCHEMBL4057121 0.83 ADORA1 (0.40) ADORA1MAPK1ALDH1A1MAPTHTT
SCHEMBL4052382 0.83 ADORA1 (0.40) ADORA1ALDH1A1MAPTHTTHDAC1

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-20090029996-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) 2009-01-29 US claimed
US-20090029996-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) 2009-01-29 US disclosed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP disclosed
WO-2005123693-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-20090029996-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, PDE4B ADORA1 311/4885MAPK1 1623/4885CYP2C9 147/4885

“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.