SCHEMBL3399431

SCHEMBL3399431

COC(=O)c1cccc(Cn2nnc3c(N4CCOCC4)nc(Cl)nc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
PIK3CA P42336 5/20 0.51
MTOR P42345 4/20 0.51
PIK3CG P48736 4/20 0.51
ALDH1A1 P00352 5/20 0.49
YTHDC1 Q96MU7 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
MAPK10 P53779 1/20 0.46
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKDC P78527 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ABHD6 Q9BV23 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
SCHEMBL3408187 0.90 PIK3CA (0.59) PIK3CAMTORPIK3CGALDH1A1YTHDC1
SCHEMBL3425950 0.83 MAPT (0.52) PIK3CAMTORPIK3CGALDH1A1YTHDC1
SCHEMBL3426082 0.81 PIK3CA (0.60) PIK3CAMTORPIK3CGPRKDCPIK3CB
SCHEMBL3424805 0.80 PIK3CA (0.61) PIK3CAMTORPIK3CGPIK3CB
SCHEMBL3430370 0.76 NPC1 (0.57) ADORA3PIK3CAMTORPIK3CGALDH1A1
SCHEMBL3429156 0.75 PIK3CA (0.59) PIK3CAMTORPIK3CGALDH1A1KDM4E
SCHEMBL3402190 0.73 PIK3CA (0.52) PIK3CAMTORPIK3CG
SCHEMBL4535825 0.72 ALDH1A1 (0.45) PIK3CAMTORPIK3CGALDH1A1GAA
SCHEMBL3429006 0.72 PIK3CA (0.45) PIK3CAMTORPIK3CGALDH1A1GAA
SCHEMBL3427707 0.72 PIK3CA (0.50) PIK3CAMTORPIK3CGALDH1A1GAA

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 3 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
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 ADORA3 708/4885ADORA2A 1136/4885ADORA2B 1556/4885

“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.