SCHEMBL3403145

SCHEMBL3403145

O=[N+]([O-])c1cncnc1N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.61
CYP2C9 P11712 5/20 0.61
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP2C19 P33261 3/20 0.51
POLB P06746 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CTSB P07858 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2713198 0.79 CYP1A2 (0.61) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL4675601 0.78 ALDH1A1 (0.74) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL2711422 0.77 CYP1A2 (0.58) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL2713437 0.77 CYP1A2 (0.58) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL3561849 0.77 CYP1A2 (0.55) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL9639441 0.76 CYP1A2 (1.00) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL30050306 0.73 MAPT (0.69) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL19417846 0.73 MAPT (0.69) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL2712212 0.72 CYP2C9 (0.53) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL16702828 0.72 KDM4E (0.57) POLBMAPK1KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102014914-A 3H-[1,2,3]triazolo[4,5-D]pyrimidine compounds, their use as MTOR kinase and PI3 kinase inhibitors, and their syntheses WYETH CORP 2011-04-13 CN disclosed
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 EP disclosed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 WO disclosed
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 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 (1 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-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD CYP1A2 2632/4885CYP2C9 1133/4885MAPT 2266/4885

“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.