SCHEMBL4053240

SCHEMBL4053240

CCn1nc(-c2cccs2)c(C(=O)O)c(Nc2cccnc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
KLF5 Q13887 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
TBXAS1 P24557 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3036724 0.92 PDE4B (0.51) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4056733 0.89 ALDH1A1 (0.43) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4373583 0.87 PDE4B (0.39) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4049128 0.87 KMT2A (0.42) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4059284 0.87 ADORA1 (0.41) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4049875 0.86 ADORA1 (0.41) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4051352 0.85 ADORA1 (0.40) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4050108 0.85 PDE4B (0.63) PDE4BADORA1MAPTTP53MAPK1
SCHEMBL4055052 0.85 ADORA1 (0.44) PDE4BADORA1MEN1KMT2AMAPT
SCHEMBL4054578 0.84 PDE4B (0.50) PDE4BADORA1MEN1KMT2AMAPT

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 3 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 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 PDE4B 3/4885ADORA1 311/4885MEN1 4851/4885

“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.