SCHEMBL994116

SCHEMBL994116

O=c1[nH]ncc2conc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PARP1 P09874 1/20 0.46
PRKCI P41743 1/20 0.46
PDE4B Q07343 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC2A1 P11166 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ADORA2A P29274 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
XDH P47989 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL9835550 0.72 XDH (0.39) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL1494899 0.65 ALDH1A1 (0.42) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL4564464 0.64 HSD17B10 (0.50) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL30032497 0.64 ALDH1A1 (0.41) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL19152884 0.63 ALDH1A1 (0.40) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL7366251 0.63 PARP1 (0.53) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL19153237 0.63 RAB9A (0.46) ALDH1A1HSD17B10PARP1PRKCIPDE4B
Phthalazinone SCHEMBL51553 0.63 PARP1 (1.00) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL19176400 0.62 ALDH1A1 (0.39) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL2952293 0.62 DYRK1A (0.43) ALDH1A1HSD17B10PARP1PRKCIPDE4B

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
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-2125830-B1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL SA (ES) 2011-01-26 EP disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE ALMIRALL, S.A. (ES) 2010-06-03 US disclosed
EP-2125830-A1 NEW PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLOÝ3,4-D¨PYRIDAZIN-7(6H)-ONE Almirall, S.A. (ES) 2009-12-02 EP disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 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
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US 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
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 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
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 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 (5 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B ALDH1A1 444/4885HSD17B10 459/4885PARP1 635/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B ALDH1A1 451/4885HSD17B10 376/4885PARP1 771/4885
US-20100137591-A1 PROCESS FOR PREPARING 3-METHYL-4-PHENYLISOXAZOLO [3,4-D]PYRIDAZIN-7(6H)-ONE HPD, CYP4F11, CYP4F8 ALDH1A1 215/4885HSD17B10 1318/4885PARP1 904/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B ALDH1A1 525/4885HSD17B10 578/4885PARP1 1082/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B ALDH1A1 444/4885HSD17B10 459/4885PARP1 635/4885

“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.