SCHEMBL4059635

SCHEMBL4059635

CCn1nc(-c2ccccc2)c(C(=O)OCC(=O)N(C)C)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TACR3 P29371 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4050022 0.91 GAA (0.44) PDE4BTACR3PDE4APDE4CPDE4D
SCHEMBL4049916 0.89 PDE4B (0.43) PDE4BSMN1; SMN2TACR3PDE4APDE4C
SCHEMBL4049469 0.88 PDE4B (0.48) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL4048502 0.88 PDE4B (0.45) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL4055629 0.88 PDE4B (0.44) PDE4BLMNAHTTTP53RECQL
SCHEMBL4051437 0.88 PDE4B (0.42) PDE4BSMN1; SMN2LMNAHTTGAA
SCHEMBL4055308 0.87 PDE4B (0.47) PDE4BSMN1; SMN2PDE4APDE4CPDE4D
SCHEMBL4053623 0.87 PDE4B (0.45) PDE4BSMN1; SMN2TACR3PDE4APDE4C
SCHEMBL4052853 0.87 SMN1; SMN2 (0.42) PDE4BSMN1; SMN2LMNAHTTTP53
SCHEMBL4052589 0.86 PDE4B (0.43) PDE4BSMN1; SMN2PDE4APDE4CPDE4D

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 3/4885SMN1; SMN2 4776/4885TACR3 4071/4885

“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.