SCHEMBL519140

SCHEMBL519140

COc1cn(-c2cccc(C(F)(F)F)c2)nc(C(=O)O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
NOTUM Q6P988 1/20 0.43
CMA1 P23946 1/20 0.42

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
SCHEMBL518874 0.91 MAPT (0.56) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL518563 0.90 KMT2A (0.57) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL7794354 0.88 KMT2A (0.53) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL13558504 0.88 KMT2A (0.58) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL519574 0.86 MAPT (0.52) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL10258770 0.85 POLB (0.59) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL14973581 0.84 KMT2A (0.55) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL519144 0.84 MAPT (0.49) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL519145 0.84 MAPT (0.49) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL16569044 0.83 POLB (0.54) KMT2AMEN1CYP1A2CYP3A4MAPT

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 36 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-2604597-B1 HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A TAKEDA PHARMACEUTICALS CO (JP) 2017-01-04 EP 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-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US 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-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
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
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 (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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1900/4885MEN1 3211/4885CYP1A2 116/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1887/4885MEN1 3239/4885CYP1A2 120/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B KMT2A 1770/4885MEN1 3445/4885CYP1A2 116/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B KMT2A 1770/4885MEN1 3445/4885CYP1A2 116/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B KMT2A 1726/4885MEN1 3382/4885CYP1A2 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.