SCHEMBL2632789

SCHEMBL2632789

Cn1cc(S(=O)(=O)N2CCc3c(nc(-c4ccc(N=O)cc4)nc3N3CCOCC3)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.49
PIK3R1 P27986 4/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CD O00329 2/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL1835706 0.90 MTOR (0.51) MTORPIK3R1PIK3CAPIK3CDPIK3CG
SCHEMBL2098090 0.87 MTOR (0.48) MTORPIK3R1PIK3CA
SCHEMBL1840329 0.82 MTOR (0.76) MTORPIK3CA
SCHEMBL2632796 0.74 MTOR (0.54) MTOR
SCHEMBL8367391 0.73 MTOR (0.51) MTORPIK3CA
SCHEMBL2632797 0.73 MTOR (0.53) MTOR
SCHEMBL2632795 0.72 MTOR (0.53) MTOR
SCHEMBL2632788 0.71 MTOR (0.62) MTORPIK3CA
SCHEMBL1830854 0.70 MTOR (0.82) MTORPIK3CA
SCHEMBL15196036 0.69 MTOR (0.53) MTORPIK3R1PIK3CAPIK3CDPIK3CG

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
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 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 (2 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3R1 151/4885PIK3CA 4/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3R1 151/4885PIK3CA 4/4885

“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.