SCHEMBL519340

SCHEMBL519340

CC(=O)C(=NNc1ccc(C(F)(F)F)cc1F)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
KIF11 P52732 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.40
PDE2A O00408 1/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38

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
SCHEMBL519669 0.88 MEN1 (0.47) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL519504 0.81 ALDH1A1 (0.62) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL519938 0.79 ALDH1A1 (0.40) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL518882 0.79 KMT2A (0.47) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL518630 0.76 EPHX2 (0.50) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL31434967 0.76 CYP1A2 (0.56) KIF11MEN1KMT2AALDH1A1GAA
SCHEMBL9185909 0.76 CYP1A2 (0.56) KIF11MEN1KMT2AALDH1A1GAA
SCHEMBL519279 0.75 MAPT (0.60) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL518953 0.74 RAB9A (0.48) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL518613 0.74 MEN1 (0.42) MAPK1MAPTMEN1KMT2AALDH1A1

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 41 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-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
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-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-20120277204-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-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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
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 (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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPK1 659/4885KIF11 2363/4885MAPT 4105/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPK1 929/4885KIF11 2766/4885MAPT 4201/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPK1 1021/4885KIF11 2854/4885MAPT 4321/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPK1 659/4885KIF11 2363/4885MAPT 4105/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPK1 659/4885KIF11 2363/4885MAPT 4105/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B MAPK1 719/4885KIF11 2347/4885MAPT 4144/4885

“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.