SCHEMBL519406

SCHEMBL519406

O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1F

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2C9 P11712 1/20 0.74
PDE10A Q9Y233 7/20 0.66
ALDH1A1 P00352 1/20 0.65
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.44
NOTUM Q6P988 1/20 0.43
SLC5A1 P13866 2/20 0.41
NPY5R Q15761 1/20 0.40
CCR1 P32246 1/20 0.39

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
SCHEMBL2749965 0.90 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL2535248 0.90 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL518683 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL518342 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL2504184 0.89 PDE10A (0.60) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL519090 0.89 PDE10A (0.74) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL2751940 0.88 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL3509830 0.88 PDE10A (0.71) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL27975771 0.87 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A
SCHEMBL2509831 0.87 PDE10A (0.69) CYP1A2CYP3A4CYP2C19CYP2C9PDE10A

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 37 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 claimed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP claimed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US claimed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US claimed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US claimed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP claimed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO claimed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US claimed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
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
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP3A4 466/4885CYP2C19 201/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 120/4885CYP3A4 432/4885CYP2C19 199/4885
US-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A CYP1A2 87/4885CYP3A4 158/4885CYP2C19 77/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP3A4 341/4885CYP2C19 218/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP3A4 341/4885CYP2C19 218/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B CYP1A2 109/4885CYP3A4 320/4885CYP2C19 195/4885

“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.