SCHEMBL4054580

SCHEMBL4054580

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.53
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.43
TBXAS1 P24557 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL1654740 0.93 PDE4B (0.60) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL4049469 0.92 PDE4B (0.48) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL4054450 0.89 PDE4B (0.52) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL3029324 0.89 PDE4B (0.46) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL4048502 0.88 PDE4B (0.45) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL1654521 0.87 PDE4B (0.62) PDE4BTP53TBXAS1SMN1; SMN2MEN1
SCHEMBL4053623 0.87 PDE4B (0.45) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL4055308 0.87 PDE4B (0.47) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL3039553 0.87 PDE4B (0.52) PDE4BLMNAHTTTP53TBXAS1
SCHEMBL5316119 0.86 PDE4B (0.42) PDE4BLMNAHTTTP53SMN1; SMN2

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 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 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.