SCHEMBL3986980

SCHEMBL3986980

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.56
MTOR P42345 17/20 0.52
PIK3CA P42336 16/20 0.52
PIK3R1 P27986 12/20 0.52

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
SCHEMBL4293191 0.92 SGK1 (0.56) SGK1MTORPIK3CAPIK3R1
SCHEMBL3994797 0.86 SGK1 (0.59) SGK1MTORPIK3CAPIK3R1
SCHEMBL3989155 0.86 SGK1 (0.53) SGK1MTORPIK3CAPIK3R1
SCHEMBL3984228 0.85 MTOR (0.64) SGK1MTORPIK3CAPIK3R1
SCHEMBL8189625 0.85 SGK1 (0.58) SGK1MTORPIK3CAPIK3R1
SCHEMBL3989299 0.83 MTOR (0.64) SGK1MTORPIK3CAPIK3R1
SCHEMBL3986983 0.83 SGK1 (0.56) SGK1MTORPIK3CAPIK3R1
SCHEMBL3992516 0.83 SGK1 (0.56) SGK1MTORPIK3CAPIK3R1
SCHEMBL4293195 0.83 SGK1 (0.56) SGK1MTORPIK3CAPIK3R1
SCHEMBL3988805 0.81 SMN1; SMN2 (0.62) SGK1MTORPIK3CAPIK3R1

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 SGK1 100/4885MTOR 1/4885PIK3CA 2/4885

“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.