SCHEMBL4057121

SCHEMBL4057121

CCn1nc(-c2cccs2)c(C(=O)OCCOC(C)=O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 6/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4059427 0.94 ADORA1 (0.41) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4053146 0.92 ADORA1 (0.43) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4052382 0.89 ADORA1 (0.40) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4051228 0.88 ADORA1 (0.40) ADORA1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4052552 0.88 ADORA1 (0.37) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4052622 0.88 ADORA1 (0.37) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4048802 0.88 ADORA1 (0.37) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4057540 0.87 ADORA1 (0.45) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4054524 0.87 PDE4B (0.39) ADORA1PDE4BALDH1A1SMN1; SMN2NPC1
SCHEMBL4054290 0.86 ADORA1 (0.38) ADORA1ALDH1A1SMN1; SMN2NPC1RAB9A

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 3/4885ALDH1A1 324/4885

“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.