SCHEMBL4053682

SCHEMBL4053682

Cn1nc(-c2cccnc2)cc(N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.49
CYP2E1 P05181 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2C19 P33261 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
AURKA O14965 1/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
BACE1 P56817 3/20 0.45
CYP3A4 P08684 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL2689845 0.84 CYP2A6 (0.54) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL11257993 0.83 CA12 (0.57) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL11232120 0.83 AURKB (0.55) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL4059984 0.81 TBXAS1 (0.56) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL11233206 0.79 CYP11B2 (0.45) CYP2A6AURKATTKAURKBINCENP
SCHEMBL4061767 0.78 CYP2A6 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL12279439 0.78 CYP2A6 (0.54) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL12744778 0.76 CYP2A6 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL28574445 0.76 CYP2A6 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL11242510 0.74 CCNC (0.38) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19

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 9 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 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
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN 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
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 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 CYP2A6 137/4885CYP2E1 55/4885CYP2C9 84/4885

“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.