SCHEMBL1781593

SCHEMBL1781593

COc1cc(OC2CCN(C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.53
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.46
PARP1 P09874 2/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CHEK1 O14757 2/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
ALK Q9UM73 1/20 0.41
HTR6 P50406 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL15994855 1.00 SIRT6 (0.53) SIRT6LMNAALDH1A1MAPTPARP1
SCHEMBL375364 0.94 SIRT6 (0.57) SIRT6LMNAALDH1A1MAPTHTR6
SCHEMBL29446151 0.94 SIRT6 (0.57) SIRT6LMNAALDH1A1MAPTHTR6
SCHEMBL3716253 0.93 SIRT6 (0.47) SIRT6LMNAALDH1A1MAPTPARP1
SCHEMBL375370 0.87 SIRT6 (0.51) SIRT6LMNAALDH1A1MAPTALK
SCHEMBL16701931 0.84 SIRT6 (0.53) SIRT6LMNAALDH1A1MAPTCHEK1
SCHEMBL26087309 0.83 ALDH1A1 (0.51) SIRT6LMNAALDH1A1MAPTTDP1
SCHEMBL30043078 0.82 ALDH1A1 (0.46) SIRT6LMNAALDH1A1MAPTTDP1
SCHEMBL22348729 0.81 ALDH1A1 (0.45) SIRT6LMNAALDH1A1MAPTPARP1
SCHEMBL224959 0.81 ALDH1A1 (0.46) SIRT6LMNAALDH1A1MAPTTDP1

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
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (3 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 SIRT6 3275/4885LMNA 1686/4885ALDH1A1 2972/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 SIRT6 2019/4885LMNA 1996/4885ALDH1A1 422/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS SIRT6 1324/4885LMNA 3341/4885ALDH1A1 649/4885

“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.