SCHEMBL3998917

SCHEMBL3998917

Cn1ccc2nc(-c3ccc(NC(=O)Nc4ccncc4)cc3)nc(N3CCOCC3)c21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.66
PIK3CG P48736 4/20 0.66
PIK3CD O00329 1/20 0.66
MTOR P42345 19/20 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
SCHEMBL3995091 0.85 MTOR (0.67) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL3996957 0.83 MTOR (0.64) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL4239087 0.83 MTOR (0.70) PIK3CAPIK3CGMTOR
SCHEMBL3998534 0.83 MTOR (0.59) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL3991787 0.83 PIK3CA (0.62) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL3991923 0.82 MTOR (0.71) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL22025541 0.82 PIK3CA (0.58) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL3995331 0.81 MTOR (0.70) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL4049349 0.81 MTOR (0.66) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL3718908 0.80 MTOR (0.72) PIK3CAPIK3CGPIK3CDMTOR

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
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US claimed
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 WO claimed
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US disclosed
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 WO 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CG 7/4885PIK3CD 3/4885

“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.