SCHEMBL3989370

SCHEMBL3989370

CC(C)OC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NCCO)cc4)nc32)CC1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.88
MTOR P42345 20/20 0.88
PIK3CG P48736 8/20 0.88
ATR Q13535 5/20 0.84

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
SCHEMBL3992094 0.94 PIK3CA (1.00) PIK3CAMTORPIK3CGATR
SCHEMBL3993062 0.93 PIK3CA (0.88) PIK3CAMTORPIK3CGATR
SCHEMBL4551088 0.91 PIK3CA (0.88) PIK3CAMTORPIK3CGATR
SCHEMBL3991863 0.91 PIK3CA (1.00) PIK3CAMTORPIK3CGATR
SCHEMBL3914896 0.91 PIK3CA (0.73) PIK3CAMTORPIK3CGATR
SCHEMBL54633 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CGATR
SCHEMBL3991768 0.90 PIK3CA (0.88) PIK3CAMTORPIK3CGATR
SCHEMBL3989116 0.90 PIK3CA (0.89) PIK3CAMTORPIK3CGATR
SCHEMBL3991835 0.90 PIK3CA (0.79) PIK3CAMTORPIK3CGATR
SCHEMBL3986048 0.89 PIK3CA (1.00) PIK3CAMTORPIK3CGATR

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-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP claimed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US claimed

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 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.