SCHEMBL3916620

SCHEMBL3916620

O=C(NCCF)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.74
PIK3CA P42336 19/20 0.74
PIK3CG P48736 3/20 0.65
ATR Q13535 1/20 0.65

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
SCHEMBL3991968 0.88 PIK3CA (0.82) MTORPIK3CA
SCHEMBL4998335 0.88 PIK3CA (0.82) MTORPIK3CA
SCHEMBL4992629 0.87 PIK3CA (0.83) MTORPIK3CAPIK3CGATR
SCHEMBL4996533 0.87 PIK3CA (0.86) MTORPIK3CA
SCHEMBL4996109 0.85 MTOR (0.82) MTORPIK3CAPIK3CGATR
SCHEMBL3991450 0.84 MTOR (1.00) MTORPIK3CAPIK3CGATR
SCHEMBL3984417 0.83 PIK3CA (0.81) MTORPIK3CAPIK3CGATR
SCHEMBL3986186 0.83 PIK3CA (1.00) MTORPIK3CAPIK3CGATR
SCHEMBL4996026 0.83 PIK3CA (0.70) MTORPIK3CA
SCHEMBL3992157 0.83 PIK3CA (0.85) MTORPIK3CAPIK3CGATR

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.