SCHEMBL3989299

SCHEMBL3989299

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cn[nH]c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.64
PIK3CA P42336 15/20 0.64
PIK3CG P48736 3/20 0.64
PIK3CD O00329 1/20 0.60
PIK3R1 P27986 4/20 0.59
ATR Q13535 1/20 0.58
SGK1 O00141 1/20 0.56

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
SCHEMBL3984228 0.90 MTOR (0.64) MTORPIK3CAPIK3R1SGK1
SCHEMBL3994797 0.89 SGK1 (0.59) MTORPIK3CAPIK3CGPIK3R1SGK1
SCHEMBL8189625 0.88 SGK1 (0.58) MTORPIK3CAPIK3CGPIK3R1SGK1
SCHEMBL4293191 0.85 SGK1 (0.56) MTORPIK3CAPIK3R1SGK1
SCHEMBL3992516 0.85 SGK1 (0.56) MTORPIK3CAPIK3R1SGK1
SCHEMBL3986299 0.85 SGK1 (0.54) MTORPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL3989155 0.85 SGK1 (0.53) MTORPIK3CAPIK3R1SGK1
SCHEMBL3986980 0.83 SGK1 (0.56) MTORPIK3CAPIK3R1SGK1
SCHEMBL3992288 0.83 MTOR (0.56) MTORPIK3CAPIK3CGPIK3R1SGK1
SCHEMBL3988805 0.82 SMN1; SMN2 (0.62) MTORPIK3CAPIK3CGPIK3CDPIK3R1

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-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
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 MTOR 1/4885PIK3CA 2/4885PIK3CG 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.