SCHEMBL519033

SCHEMBL519033

NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 2/20 0.55
NOTUM Q6P988 2/20 0.51
POLB P06746 2/20 0.50
UBE2N P61088 1/20 0.47
PLA2G10 O15496 1/20 0.46
EPHX2 P34913 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL518604 0.88 KMT2A (0.67) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL518964 0.87 KMT2A (0.62) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL519044 0.86 CYP1A2 (0.64) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL518582 0.84 GAA (0.68) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL518925 0.84 KMT2A (0.59) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL518725 0.82 ALDH1A1 (0.64) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10258194 0.81 KMT2A (0.78) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL519396 0.81 MEN1 (0.70) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29826882 0.80 CYP2C9 (0.76) ALDH1A1KMT2ACYP1A2CYP3A4MEN1
SCHEMBL518791 0.80 KMT2A (0.60) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19

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 22 patents — showing the first 20. 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-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
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-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 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-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-20120277431-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-20120277430-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
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US 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 ALDH1A1 350/4885KMT2A 1770/4885CYP1A2 116/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885KMT2A 1770/4885CYP1A2 116/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 331/4885KMT2A 1900/4885CYP1A2 116/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 343/4885KMT2A 1887/4885CYP1A2 120/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885KMT2A 1770/4885CYP1A2 116/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885KMT2A 1770/4885CYP1A2 116/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885KMT2A 1726/4885CYP1A2 109/4885

“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.