SCHEMBL3425950

SCHEMBL3425950

COC(=O)c1cccc(-n2nnc3c(N4CCOCC4)nc(Cl)nc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46
PIK3CG P48736 2/20 0.46
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
HDAC1 Q13547 1/20 0.42
PRKDC P78527 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMO O15229 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
SCHEMBL3425301 0.85 PIK3CA (0.54) PIK3CAMTORPIK3CGHDAC1
SCHEMBL3408990 0.85 PIK3CA (0.50) PIK3CAMTORPIK3CGHDAC1
SCHEMBL3427732 0.83 PIK3CA (0.48) MAPTPKMALOX15PIK3CAMTOR
SCHEMBL3399431 0.83 ADORA3 (0.53) MAPTPKMALOX15PIK3CAMTOR
SCHEMBL3408187 0.77 PIK3CA (0.59) PIK3CAMTORPIK3CGALDH1A1MEN1
SCHEMBL3432078 0.76 HDAC1 (0.52) PIK3CAMTORPIK3CGHDAC1
SCHEMBL4532608 0.75 MTOR (0.70) PIK3CAMTORPIK3CG
SCHEMBL4250883 0.75 KMO (0.68) MAPTPKMALOX15ALDH1A1TP53
SCHEMBL4357869 0.74 KMO (0.67) MAPTPKMALOX15ALDH1A1TP53
SCHEMBL3431202 0.73 PIK3CA (0.52) PIK3CAMTORPIK3CGHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 MAPT 2266/4885PKM 716/4885ALOX15 3581/4885

“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.