SCHEMBL4049335

SCHEMBL4049335

CCn1nc(-c2cccnc2)cc(Nc2ccc(C#N)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
CYP11B2 P19099 2/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
PDE4B Q07343 7/20 0.43
ADORA1 P30542 3/20 0.43
ABCB1 P08183 2/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
ABCC1 P33527 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL4061317 0.89 ABCG2 (0.54) ABCG2PDE4BADORA1ABCB1ABCC1
SCHEMBL4057102 0.89 MEN1 (0.44) CYP11B2ABCG2PDE4BADORA1ABCB1
SCHEMBL4058677 0.88 GSK3B (0.42) ABCG2PDE4BADORA1ABCB1ADORA2A
SCHEMBL4053319 0.87 CYP11B2 (0.46) CYP11B2ABCG2ABCB1ABL1PDGFRB
SCHEMBL4053223 0.87 TBXAS1 (0.51) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4050378 0.85 TBXAS1 (0.46) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4054077 0.82 ABCG2 (0.40) ABCG2PDE4BADORA1ABCB1ABCC1
SCHEMBL4049578 0.82 TBXAS1 (0.49) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4057614 0.80 TBXAS1 (0.44) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4055066 0.79 TBXAS1 (0.48) TBXAS1PDE4BADORA1ABL1PDGFRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO 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 TBXAS1 498/4885CYP11B2 121/4885ABCG2 1057/4885

“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.