SCHEMBL14722902

SCHEMBL14722902

COCC(=O)Cc1ccnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
PDE10A Q9Y233 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A3 Q92570 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NTRK1 P04629 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
NR3C2 P08235 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
SCHEMBL7109626 0.83 POLB (0.47) POLBNR4A3MEN1KMT2ACYP2C9
SCHEMBL14722368 0.78 ALDH1A1 (0.48) SMN1; SMN2GAAMEN1KMT2ACYP1A2
SCHEMBL1195389 0.74 TSHR (0.56) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL14723012 0.71 MAPT (0.41) POLBPDE10AGAACYP2C9CYP2C19
SCHEMBL23116885 0.71 POLB (0.52) POLBPDE10ASMN1; SMN2GAACYP1A2
SCHEMBL1906019 0.71 POLB (0.52) POLBPDE10ASMN1; SMN2NR4A3GAA
SCHEMBL16815749 0.71 POLB (0.52) POLBNR4A3CYP2C9ALDH1A1NR3C2
SCHEMBL18394893 0.71 TP53 (0.50) POLBSMN1; SMN2GAAMEN1KMT2A
SCHEMBL1195187 0.71 NPC1 (0.50) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL2999855 0.70 TDP1 (0.43) POLBPDE10AGAACYP2C9CYP2C19

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 POLB 1195/4885PDE10A 5/4885SMN1; SMN2 3102/4885
US-10174004-B2 Production method of pyridazinone compounds PNPO, CYP2B6, CYP4B1 POLB 565/4885PDE10A 1491/4885SMN1; SMN2 3023/4885
US-20160002209-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS PNPO, CYP2B6, CYP4B1 POLB 565/4885PDE10A 1491/4885SMN1; SMN2 3023/4885
US-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B POLB 3286/4885PDE10A 6/4885SMN1; SMN2 3643/4885

“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.