SCHEMBL4058345

SCHEMBL4058345

CCn1nc(-c2cccs2)c(C(=O)OCc2ccc(F)cc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
KMT2A Q03164 5/20 0.37
USP2 O75604 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
LRRK2 Q5S007 4/20 0.36
PDE4B Q07343 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
CYP2C19 P33261 3/20 0.36

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
SCHEMBL4049128 0.93 KMT2A (0.42) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4051281 0.92 MAPT (0.40) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4056733 0.89 ALDH1A1 (0.43) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4055585 0.88 KMT2A (0.41) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4051471 0.88 ADORA1 (0.37) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4055619 0.87 PDE4B (0.39) ADORA1KMT2ALRRK2PDE4BHDAC1
SCHEMBL4059284 0.86 ADORA1 (0.41) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL5264015 0.86 MEN1 (0.40) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4049875 0.85 ADORA1 (0.41) ADORA1KMT2AUSP2MEN1MAPT
SCHEMBL4051352 0.85 ADORA1 (0.40) ADORA1KMT2AUSP2MEN1MAPT

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 311/4885KMT2A 1725/4885USP2 1446/4885

“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.