SCHEMBL4556151

SCHEMBL4556151

c1cc2cc(-c3nc(N4CCOCC4)c4nc[nH]c4n3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.60
MTOR P42345 13/20 0.60
PIK3CG P48736 7/20 0.60
ATR Q13535 2/20 0.50
CYP2C9 P11712 1/20 0.50
GRIA1 P42261 1/20 0.49
JAK2 O60674 1/20 0.49
PRKDC P78527 1/20 0.47
PIK3CD O00329 2/20 0.46
AURKB Q96GD4 1/20 0.46
ATRIP Q8WXE1 1/20 0.44
MAP3K11 Q16584 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
SCHEMBL31061108 0.92 PIK3CA (0.70) PIK3CAMTORPIK3CGATRPIK3CD
SCHEMBL4556015 0.81 PIK3CA (0.70) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4449716 0.81 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL31061290 0.81 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4556422 0.80 PIK3CA (0.70) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4449352 0.80 KDM4E (0.54) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4442229 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3991978 0.80 PIK3CA (0.61) PIK3CAMTORPIK3CGATRCYP2C9
SCHEMBL4443377 0.79 PIK3CA (0.70) PIK3CAMTORPIK3CGPRKDCPIK3CD
SCHEMBL4440268 0.79 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CD

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 1/4885PIK3CG 16/4885

“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.