SCHEMBL4440268

SCHEMBL4440268

Cc1cccc(-c2nc(N3CCOCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.62
MTOR P42345 9/20 0.62
STK4 Q13043 1/20 0.54
STK3 Q13188 1/20 0.54
LRRK2 Q5S007 1/20 0.54
PIK3CG P48736 9/20 0.53
CHEK1 O14757 1/20 0.50
PIK3CD O00329 4/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SRC P12931 1/20 0.45

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
SCHEMBL4442229 0.88 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDMEN1
SCHEMBL4443377 0.87 PIK3CA (0.70) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4443717 0.86 PIK3CA (0.58) PIK3CAMTORSTK4STK3LRRK2
SCHEMBL4442920 0.86 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4449352 0.86 KDM4E (0.54) PIK3CAMTORSTK4STK3LRRK2
SCHEMBL4437743 0.84 PIK3CA (0.72) PIK3CAMTORPIK3CGPIK3CDLMNA
SCHEMBL4442257 0.84 PIK3CA (0.71) PIK3CAMTORSTK4STK3LRRK2
SCHEMBL4449028 0.84 GAA (0.59) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4438221 0.83 PIK3CA (0.75) PIK3CAMTORPIK3CGMEN1LMNA
SCHEMBL4448951 0.82 MEN1 (0.63) PIK3CAMTORPIK3CGPIK3CDMEN1

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
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP claimed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US claimed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 PIK3CA 4/4885MTOR 1/4885STK4 384/4885

“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.