SCHEMBL1996283

SCHEMBL1996283

CCn1nc(C(=O)OC(C)C)cc(Nc2cccnc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 4/20 0.42
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
NAMPT P43490 3/20 0.41
BLM P54132 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 1/20 0.39
SHMT2 P34897 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1994711 0.89 RAB9A (0.38) TSHRAURKARPS6KB1RAB9AALDH1A1
SCHEMBL1996429 0.88 ALDH1A1 (0.46) TSHRAURKARPS6KB1RAB9AALDH1A1
SCHEMBL2827023 0.85 AURKA (0.47) TSHRAURKARPS6KB1RAB9AALDH1A1
SCHEMBL1994512 0.84 ALDH1A1 (0.39) AURKARPS6KB1RAB9AALDH1A1NPC1
SCHEMBL1999103 0.81 LRRK2 (0.43) RAB9ANPC1PKMTP53TRPV1
SCHEMBL2001351 0.81 NPC1 (0.43) TSHRAURKARPS6KB1RAB9AALDH1A1
SCHEMBL1994571 0.79 ADORA3 (0.40) AURKARPS6KB1RAB9AALDH1A1NPC1
SCHEMBL2000162 0.78 MAPT (0.44) TSHRMAPTMEN1KMT2A
SCHEMBL1993517 0.77 PDE4B (0.46) TSHRRAB9AALDH1A1NPC1PKM
SCHEMBL4053223 0.76 TBXAS1 (0.51) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960383-B2 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 SA (ES) 2011-06-14 US claimed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US claimed
US-7960383-B2 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 SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B TSHR 2798/4885AURKA 2019/4885RPS6KB1 3437/4885

“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.