SCHEMBL519089

SCHEMBL519089

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.41
CAPN1 P07384 1/20 0.40
PTPN1 P18031 2/20 0.39
PDE10A Q9Y233 5/20 0.37
NAMPT P43490 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL519254 0.91 PDE10A (0.47) CRHR1CAPN1PTPN1PDE10A
SCHEMBL519532 0.87 PTPN1 (0.38) CRHR1CAPN1PTPN1PDE10ANAMPT
SCHEMBL15004896 0.84 PTPN1 (0.41) CRHR1CAPN1PTPN1PDE10ANAMPT
SCHEMBL14722463 0.84 PTPN1 (0.41) CRHR1CAPN1PTPN1PDE10ANAMPT
SCHEMBL17389338 0.82 PDE10A (0.49) PTPN1PDE10AMEN1KMT2ANPC1
SCHEMBL15973835 0.81 PDE10A (0.47) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL15004836 0.79 KMT2A (0.35) PDE10AMEN1KMT2AALDH1A1MAPT
SCHEMBL10258926 0.79 CRHR1 (0.40) CRHR1CAPN1MEN1KMT2AALDH1A1
SCHEMBL518516 0.78 PDE10A (0.44) CAPN1PTPN1PDE10A
SCHEMBL17389323 0.78 PDE10A (0.42) CAPN1PTPN1PDE10A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 EP disclosed
EP-2602254-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-06-14 EP 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-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 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-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 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-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 (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-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CRHR1 1009/4885CAPN1 4097/4885PTPN1 628/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CRHR1 891/4885CAPN1 3963/4885PTPN1 1206/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CRHR1 1009/4885CAPN1 4097/4885PTPN1 628/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CRHR1 1009/4885CAPN1 4097/4885PTPN1 628/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B CRHR1 1015/4885CAPN1 4148/4885PTPN1 691/4885

“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.