SCHEMBL3430832

SCHEMBL3430832

CC(C)(C)OC(=O)N1CCN(CCn2nnc3c(N4CCOCC4)nc(Cl)nc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 5/20 0.41
PIK3CA P42336 7/20 0.40
MTOR P42345 7/20 0.40
PIK3CG P48736 7/20 0.40
PIK3CB P42338 1/20 0.40
HDAC1 Q13547 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATR Q13535 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL3430473 0.86 GAA (0.39) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL8177669 0.83 PIK3CA (0.41) SMN1; SMN2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL3427329 0.82 HDAC1 (0.47) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL3427276 0.81 PIK3CA (0.50) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL3424248 0.80 PIK3CA (0.42) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL3428987 0.78 ALDH1A1 (0.45) SMN1; SMN2PIK3CAMTORPIK3CGHDAC1
SCHEMBL1193940 0.77 PIK3CD (0.47) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL3403172 0.76 TLR8 (0.47) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL2673862 0.76 PIK3CA (0.44) USP2SMN1; SMN2PIK3CDPIK3CAMTOR
SCHEMBL4535825 0.75 ALDH1A1 (0.45) PIK3CDPIK3CAMTORPIK3CGPIK3CB

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 USP2 4736/4885SMN1; SMN2 3612/4885PIK3CD 3/4885

“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.