SCHEMBL518646

SCHEMBL518646

C/C(=C/C(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O)N(C)C

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.47
CYP2C9 P11712 2/20 0.47
GAA P10253 1/20 0.43
NOTUM Q6P988 1/20 0.43
UBE2N P61088 1/20 0.41
TRPA1 O75762 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL7789763 1.00 KMT2A (0.56) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL518647 1.00 KMT2A (0.56) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL8372975 0.86 KMT2A (0.65) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL13559098 0.85 KMT2A (0.58) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL519217 0.84 ALDH1A1 (0.55) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL519218 0.84 ALDH1A1 (0.55) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL518964 0.83 KMT2A (0.62) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL10291361 0.82 KMT2A (0.56) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL13260049 0.82 KMT2A (0.56) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL518791 0.81 KMT2A (0.60) KMT2ACYP1A2CYP3A4CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8435995-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 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 (7 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B KMT2A 1770/4885CYP1A2 116/4885CYP3A4 341/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B KMT2A 1770/4885CYP1A2 116/4885CYP3A4 341/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1900/4885CYP1A2 116/4885CYP3A4 466/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1887/4885CYP1A2 120/4885CYP3A4 432/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B KMT2A 1770/4885CYP1A2 116/4885CYP3A4 341/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B KMT2A 1770/4885CYP1A2 116/4885CYP3A4 341/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B KMT2A 1726/4885CYP1A2 109/4885CYP3A4 320/4885

“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.