SCHEMBL4057211

SCHEMBL4057211

CCn1nc(-c2cccc(F)c2)c(C#N)c(Nc2cc(F)c(F)c(F)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA2B P29275 2/20 0.41
PDE4B Q07343 5/20 0.40
ADORA2A P29274 1/20 0.38
PIP4K2A P48426 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CD O00329 2/20 0.35
TBXAS1 P24557 1/20 0.35
CXCR2 P25025 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
SCHEMBL4050784 0.91 PDE4B (0.48) ADORA1ADORA2BPDE4BADORA2AALDH1A1
SCHEMBL4051111 0.90 PDE4B (0.44) ADORA1ADORA2BPDE4BADORA2APIP4K2A
SCHEMBL5753107 0.90 PDE4B (0.39) ADORA1ADORA2BPDE4BPIP4K2AGRIA2
SCHEMBL4050190 0.89 PDE4B (0.39) ADORA1ADORA2BPDE4BPIP4K2AALDH1A1
SCHEMBL4050693 0.86 PDE4B (0.43) ADORA1ADORA2BPDE4BADORA2APIP4K2A
SCHEMBL5752310 0.83 TBXAS1 (0.40) ADORA1ADORA2BPDE4BADORA2APIP4K2A
SCHEMBL4050528 0.81 ADORA1 (0.48) ADORA1ADORA2BPDE4BADORA2AALDH1A1
SCHEMBL5782757 0.77 PDE4B (0.41) ADORA1PDE4BADORA2AALDH1A1PDE4D
SCHEMBL4051201 0.77 PDE4B (0.44) ADORA1ADORA2BPDE4BPIP4K2AALDH1A1
SCHEMBL4706044 0.76 PDE4B (0.55) PDE4BALDH1A1HPGDHSD17B10PDE4A

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-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US claimed
US-20070197536-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) 2007-08-23 US claimed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
US-20070197536-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) 2007-08-23 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-20070197536-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, PDE7A ADORA1 409/4885ADORA2B 837/4885PDE4B 5/4885

“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.