SCHEMBL4054923

SCHEMBL4054923

CCn1nc(-c2ccccc2)c(C(=O)OCOC(=O)C(C)(C)C)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GBA1 P04062 1/20 0.36
MAPT P10636 1/20 0.36
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 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
SCHEMBL4049469 0.88 PDE4B (0.48) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4048502 0.88 PDE4B (0.45) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4055308 0.87 PDE4B (0.47) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4053623 0.87 PDE4B (0.45) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4050022 0.86 GAA (0.44) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4055299 0.86 PDE4B (0.42) PDE4BTP53PDE4APDE4CPDE4D
SCHEMBL4059635 0.86 PDE4B (0.43) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4052589 0.86 PDE4B (0.43) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4049916 0.86 PDE4B (0.43) PDE4BLMNAHTTTP53PDE4A
SCHEMBL4054580 0.86 PDE4B (0.53) PDE4BLMNAHTTTP53GAA

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 1 patent. 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

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 3/4885LMNA 4685/4885HTT 4453/4885

“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.