SCHEMBL3452908

SCHEMBL3452908

O=c1ccc(-c2ccc(-c3ccc(=O)[nH]n3)cc2)n[nH]1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.80
KMT2A Q03164 2/20 0.80
MEN1 O00255 1/20 0.80
CYP1A2 P05177 2/20 0.79
PDE3B Q13370 5/20 0.65
PDE3A Q14432 5/20 0.65
MAPT P10636 1/20 0.61
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
HRH3 Q9Y5N1 6/20 0.50
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL2152989 0.89 LMNA (0.67) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL11035831 0.89 LMNA (1.00) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL928205 0.89 LMNA (0.67) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL928226 0.89 LMNA (0.67) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL4122238 0.89 LMNA (0.67) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL1392640 0.89 LMNA (0.67) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL482059 0.89 CYP1A2 (1.00) LMNAKMT2AMEN1CYP1A2PDE3B
Hydrochloric Acid SCHEMBL7316011 0.88 LMNA (0.65) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL7689907 0.87 CYP1A2 (0.96) LMNAKMT2AMEN1CYP1A2PDE3B
SCHEMBL1751891 0.87 CYP1A2 (0.68) LMNAKMT2AMEN1CYP1A2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208517-B1 6-OXO-PYRIDAZINYL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-12 EP claimed
US-4904664-A INOTROPIC, BRONCHODILATOR, AND VASODILATOR AGENTS; CONGESTIVE HEART FAILURE; CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-27 US claimed
EP-0208517-A2 6-Oxo-pyridazinyl compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-01-14 EP claimed
US-7820669-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2010-10-26 US disclosed
US-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
US-7494990-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2009-02-24 US disclosed
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 US disclosed
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP disclosed
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-02 US disclosed
US-7220746-B2 Pyrrolidinedione substituted piperidine-phthalazones as PDE4 inhibitors ALTANA PHARMA AG (DE) 2007-05-22 US disclosed
EP-1537100-B1 PYRROLIDINEDIONE SUBSTITUTED PIPERIDINE-PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2007-04-25 EP disclosed
US-20060166995-A1 Piperidine-n-oxide-derivatives ALTANA PHARMA AG (DE) 2006-07-27 US disclosed
US-20060160813-A1 Pyrrolidinedione substituted piperidine-phtalazones as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-07-20 US disclosed
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-05-04 US disclosed
WO-2005075456-A1 2-(PIPERIDIN-4-YL) -4, 5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
WO-2005075457-A1 PHTHALAZINONE-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
EP-1087769-B1 USE OF A PYRIDAZINONE DERIVATIVE AS CALCIUM SENSITIZER ORION CORP (FI) 2004-03-10 EP disclosed
EP-0208517-B1 6-OXO-PYRIDAZINYL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-12 EP disclosed
US-4904664-A INOTROPIC, BRONCHODILATOR, AND VASODILATOR AGENTS; CONGESTIVE HEART FAILURE; CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-27 US disclosed
EP-0208517-A2 6-Oxo-pyridazinyl compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-01-14 EP 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 (6 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-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D LMNA 2806/4885KMT2A 2010/4885MEN1 3907/4885
US-20060166995-A1 Piperidine-n-oxide-derivatives PDE4A, PDE3A, PDE2A LMNA 2629/4885KMT2A 2625/4885MEN1 3781/4885
US-20060160813-A1 Pyrrolidinedione substituted piperidine-phtalazones as pde4 inhibitors PDE4A, PDE4B, PDE3B LMNA 3936/4885KMT2A 1684/4885MEN1 3624/4885
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors PDE4A, PDE4B, PDE3A LMNA 3865/4885KMT2A 1833/4885MEN1 2634/4885
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D LMNA 2788/4885KMT2A 2124/4885MEN1 3906/4885
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A LMNA 2755/4885KMT2A 3218/4885MEN1 3052/4885

“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.