SCHEMBL4049875

SCHEMBL4049875

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.41
PDE4B Q07343 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
NLRP3 Q96P20 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 3/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
ERCC1 P07992 1/20 0.35

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
SCHEMBL4059284 0.94 ADORA1 (0.41) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4056733 0.91 ALDH1A1 (0.43) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL3036724 0.88 PDE4B (0.51) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4051352 0.88 ADORA1 (0.40) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4049128 0.88 KMT2A (0.42) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4049348 0.87 ADORA1 (0.39) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4054073 0.87 TBXAS1 (0.38) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4051793 0.87 NAMPT (0.39) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4053568 0.87 TBXAS1 (0.38) ADORA1PDE4BMEN1KMT2AMAPT
SCHEMBL4053574 0.86 PDE4B (0.43) PDE4BMEN1KMT2AMAPTUSP2

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 311/4885PDE4B 3/4885MEN1 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.