SCHEMBL14723012

SCHEMBL14723012

COCC(O)Cc1ccnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
PDE10A Q9Y233 5/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NTRK1 P04629 1/20 0.35
GAA P10253 1/20 0.35
MDM2 Q00987 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C18 P33260 2/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C8 P10632 1/20 0.33
LMNA P02545 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL2999855 0.79 TDP1 (0.43) POLBPDE10AALDH1A1GAAMDM2
SCHEMBL14722902 0.71 POLB (0.39) MAPTPOLBPDE10AALDH1A1NTRK1
SCHEMBL16815749 0.71 POLB (0.52) POLBALDH1A1KDM4EMDM2CYP2C9
SCHEMBL1906019 0.71 POLB (0.52) MAPTPOLBPDE10AALDH1A1GAA
SCHEMBL5808513 0.69 MAPT (0.55) MAPTPOLB
SCHEMBL1195389 0.69 TSHR (0.56) ALDH1A1KDM4EGAA
SCHEMBL7986530 0.69 F2RL1 (0.35) MAPT
SCHEMBL7986534 0.69 F2RL1 (0.35) MAPT
SCHEMBL4859521 0.68 POLB (0.48) POLBALDH1A1MDM2CYP2C9CYP2C18
SCHEMBL2987627 0.68 POLB (0.48) POLBALDH1A1MDM2CYP2C9CYP2C18

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174004-B2 Production method of pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-08 US disclosed
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-2958896-B1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-08-30 EP disclosed
EP-2602254-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-06-14 EP 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-20160002209-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 US disclosed
EP-2958896-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2015-12-30 EP disclosed
US-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 US disclosed
WO-2014129668-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 WO disclosed
EP-2748158-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS Takeda Pharmaceutical Company Limited (JP) 2014-07-02 EP disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 US disclosed
US-20130150344-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
EP-2602254-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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 (4 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-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS PDE5A, PDE3B, PDE3A MAPT 4398/4885POLB 1195/4885PDE10A 5/4885
US-10174004-B2 Production method of pyridazinone compounds PNPO, CYP2B6, CYP4B1 MAPT 2917/4885POLB 565/4885PDE10A 1491/4885
US-20160002209-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS PNPO, CYP2B6, CYP4B1 MAPT 2917/4885POLB 565/4885PDE10A 1491/4885
US-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B MAPT 4040/4885POLB 3286/4885PDE10A 6/4885

“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.