SCHEMBL4051111

SCHEMBL4051111

CCn1nc(-c2cccc(F)c2)c(C#N)c(Nc2ccc(C#N)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADORA1 P30542 5/20 0.41
ADORA2B P29275 4/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
MAP2K4 P45985 1/20 0.39
ADORA2A P29274 2/20 0.38
PIP4K2A P48426 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 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
SCHEMBL4050693 0.90 PDE4B (0.43) PDE4BCYP11B1CYP11B2ADORA1ADORA2B
SCHEMBL4057211 0.90 ADORA1 (0.41) PDE4BCYP11B1CYP11B2ADORA1ADORA2B
SCHEMBL5753107 0.90 PDE4B (0.39) PDE4BCYP11B1CYP11B2ADORA1ADORA2B
SCHEMBL4051201 0.87 PDE4B (0.44) PDE4BCYP11B1CYP11B2ADORA1ADORA2B
SCHEMBL4054494 0.87 PDE4B (0.56) PDE4BADORA1ADORA2BADORA2APDE4D
SCHEMBL5747425 0.81 PDE4B (0.42) PDE4BCYP11B1CYP11B2ADORA1ADORA2B
SCHEMBL4050528 0.81 ADORA1 (0.48) PDE4BCYP11B1CYP11B2ADORA1ADORA2B
SCHEMBL4706044 0.80 PDE4B (0.55) PDE4BCSNK1DCSNK1EPDE4DALDH1A1
SCHEMBL4050784 0.80 PDE4B (0.48) PDE4BADORA1ADORA2BADORA2APDE4D
SCHEMBL4050190 0.78 PDE4B (0.39) PDE4BADORA1ADORA2BPIP4K2APDE4D

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 PDE4B 5/4885CYP11B1 99/4885CYP11B2 121/4885

“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.