SCHEMBL519488

SCHEMBL519488

COC(=O)c1nn(-c2ccc(I)cc2F)cc(OC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP2K1 Q02750 6/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 6/20 0.38
MAP2K2 P36507 5/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FLT1 P17948 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL518383 0.91 KDM4E (0.39) MAP2K1KDM4EL3MBTL1PDE10AKMT2A
SCHEMBL14642195 0.90 MAP2K1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL518962 0.90 PDE10A (0.39) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL13558506 0.89 MAP2K1 (0.40) MAP2K1PDE10AMAP2K2KMT2AMEN1
SCHEMBL16627462 0.87 KMT2A (0.43) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL10258426 0.87 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL7784391 0.87 MAP2K1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL519290 0.85 MAP2K1 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1
SCHEMBL518668 0.84 P2RX7 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL519514 0.83 PDE10A (0.53) KDM4EL3MBTL1PDE10AKMT2AMEN1

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 30 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
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
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-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-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-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 CYP1A2 116/4885CYP3A4 341/4885CYP2C9 630/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP3A4 341/4885CYP2C9 630/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP3A4 466/4885CYP2C9 659/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 120/4885CYP3A4 432/4885CYP2C9 637/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP3A4 341/4885CYP2C9 630/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B CYP1A2 109/4885CYP3A4 320/4885CYP2C9 569/4885

“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.