SCHEMBL14729554

SCHEMBL14729554

COc1cn(-c2ccc(-n3cccn3)cc2)nc(-c2ccnn2-c2ccccc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.68
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL19789841 0.92 PDE10A (0.78) PDE10AALDH1A1
SCHEMBL30123135 0.90 PDE10A (0.67) PDE10A
SCHEMBL518571 0.90 PDE10A (0.67) PDE10A
SCHEMBL14729638 0.89 PDE10A (0.70) PDE10AALDH1A1
SCHEMBL10039435 0.88 PDE10A (0.69) PDE10AALDH1A1
SCHEMBL519517 0.88 PDE10A (0.72) PDE10AALDH1A1
Balipodect SCHEMBL518714 0.88 PDE10A (0.77) PDE10A
SCHEMBL519788 0.88 PDE10A (0.75) PDE10A
Balipodect SCHEMBL30123098 0.88 PDE10A (0.77) PDE10A
SCHEMBL18973465 0.86 PDE10A (0.67) PDE10AALDH1A1

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 18 patents. 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-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
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-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-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-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 US disclosed
US-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 US disclosed
US-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 US 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-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-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
US-20130150344-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-13 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 (2 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 PDE10A 5/4885ALDH1A1 328/4885
US-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B PDE10A 6/4885ALDH1A1 77/4885

“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.