SCHEMBL3989977

SCHEMBL3989977

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 20/20 1.00
PIK3CG P48736 10/20 1.00
ATR Q13535 6/20 0.87
AURKB Q96GD4 1/20 0.73
RICTOR Q6R327 1/20 0.67
RPTOR Q8N122 1/20 0.67
MAPKAP1 Q9BPZ7 1/20 0.67
MLST8 Q9BVC4 1/20 0.67

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
SCHEMBL3991768 0.94 PIK3CA (0.88) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL3984945 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3983641 0.92 PIK3CA (0.86) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL3991759 0.92 PIK3CA (0.89) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL54564 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CGATR
SCHEMBL3992094 0.90 PIK3CA (1.00) PIK3CAMTORPIK3CGATR
SCHEMBL3915027 0.90 PIK3CA (1.00) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL4998371 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CGATRRICTOR
SCHEMBL3994177 0.89 PIK3CA (0.87) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL3992157 0.89 PIK3CA (0.85) 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.