SCHEMBL14722368

SCHEMBL14722368

COCC(=O)Cc1cc(C)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ATM Q13315 1/20 0.48
NTRK1 P04629 1/20 0.48
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.43
FCGR1A P12314 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5806384 0.86 NTRK1 (0.55) ALDH1A1L3MBTL1ATMNTRK1GAA
SCHEMBL5294292 0.80 LMNA (0.53) ALDH1A1L3MBTL1ATMNTRK1GAA
SCHEMBL14722902 0.78 POLB (0.39) ALDH1A1NTRK1GAAKMT2ACYP1A2
SCHEMBL5804612 0.77 HSD11B1 (0.47) ALDH1A1L3MBTL1ATMKMT2ASMN1; SMN2
SCHEMBL16050054 0.76 MAPK1 (0.61) ALDH1A1L3MBTL1ATMNTRK1GAA
SCHEMBL11512662 0.75 NTRK1 (0.50) ALDH1A1L3MBTL1ATMNTRK1GAA
SCHEMBL2355067 0.75 MAPK1 (0.56) ALDH1A1L3MBTL1ATMNTRK1GAA
SCHEMBL5804750 0.74 ALDH1A1 (0.53) ALDH1A1L3MBTL1NTRK1GAAKMT2A
SCHEMBL5806826 0.73 MAPT (0.49) ALDH1A1L3MBTL1NTRK1KMT2AMAPK1
SCHEMBL5807668 0.73 KMT2A (0.51) ALDH1A1NTRK1KMT2ALMNAHTT

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 9 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-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-9090586-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-28 US 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 (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 ALDH1A1 328/4885L3MBTL1 3069/4885ATM 2908/4885
US-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B ALDH1A1 77/4885L3MBTL1 4390/4885ATM 3942/4885

“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.