SCHEMBL1999815

SCHEMBL1999815

CCn1nc(C(=O)OCc2cccc(C#N)c2)cc(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ADORA2A P29274 2/20 0.37
PLK1 P53350 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALKBH1 Q13686 1/20 0.37
GRM5 P41594 1/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 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
SCHEMBL1998314 0.85 SMN1; SMN2 (0.44) POLBADORA2AKDM4EALDH1A1MAPT
SCHEMBL2001144 0.85 MAPT (0.45) ADORA2AKDM4EALDH1A1MAPTMAOA
SCHEMBL1997786 0.84 KMT2A (0.47) ADORA2AGRM5KDM4EALDH1A1MAOA
SCHEMBL1998180 0.83 ALDH1A1 (0.53) POLBADORA2AKDM4EALDH1A1MAPT
SCHEMBL1996512 0.82 MMP1 (0.49) MAPTMAOAMAOBADORA1
SCHEMBL2000314 0.79 SGMS2 (0.41) POLBRXFP1CYP19A1CYP11B1CYP11B2
SCHEMBL1994640 0.78 KDM4E (0.43) POLBADORA2AKDM4EALDH1A1MAPT
SCHEMBL1996427 0.78 MMP9 (0.43) ADORA2AKDM4EALDH1A1MAPTMAOA
SCHEMBL1996996 0.77 SGMS2 (0.38) POLBRXFP1ADORA2AALDH1A1ADORA2B
SCHEMBL1999165 0.77 GABRP (0.38) PLK1ALDH1A1MAPTADORA2B

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-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 POLB 1003/4885RXFP1 323/4885FFAR1 2059/4885

“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.