SCHEMBL519532

SCHEMBL519532

COc1cc(-n2cccn2)ccc1-n1cc(OC)c(=O)c(C(=O)N(C)OC)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
CRHR1 P34998 1/20 0.38
CAPN1 P07384 1/20 0.37
LPAR5 Q9H1C0 1/20 0.36
MGLL Q99685 1/20 0.35
PDE10A Q9Y233 4/20 0.35
NAMPT P43490 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 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
SCHEMBL518516 0.92 PDE10A (0.44) PTPN1CAPN1LPAR5MGLLPDE10A
SCHEMBL519089 0.87 CRHR1 (0.41) PTPN1CRHR1CAPN1PDE10ANAMPT
SCHEMBL14722463 0.84 PTPN1 (0.41) PTPN1CRHR1CAPN1MGLLPDE10A
SCHEMBL15004896 0.84 PTPN1 (0.41) PTPN1CRHR1CAPN1MGLLPDE10A
SCHEMBL10259308 0.83 CRHR1 (0.36) PTPN1CRHR1CAPN1MGLLHCRTR1
SCHEMBL16627481 0.82 KMT2A (0.40) LPAR5MEN1KMT2AALDH1A1MAPT
SCHEMBL518976 0.81 LPAR5 (0.35) LPAR5MEN1KMT2AALDH1A1NPC1
SCHEMBL10258903 0.81 PDE10A (0.38) CRHR1CAPN1MGLLPDE10ANPC1
SCHEMBL17389338 0.78 PDE10A (0.49) PTPN1PDE10AMEN1KMT2ANPC1
SCHEMBL519254 0.78 PDE10A (0.47) PTPN1CRHR1CAPN1PDE10A

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
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-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-20120277430-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-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
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 PTPN1 628/4885CRHR1 1009/4885CAPN1 4097/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B PTPN1 628/4885CRHR1 1009/4885CAPN1 4097/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B PTPN1 1184/4885CRHR1 991/4885CAPN1 3922/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B PTPN1 1206/4885CRHR1 891/4885CAPN1 3963/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B PTPN1 628/4885CRHR1 1009/4885CAPN1 4097/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B PTPN1 691/4885CRHR1 1015/4885CAPN1 4148/4885

“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.