SCHEMBL1270925

SCHEMBL1270925

COc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1CO

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.67
PIK3CA P42336 11/20 0.67
ATR Q13535 5/20 0.62
CYP2C9 P11712 1/20 0.61
PIK3CD O00329 2/20 0.57
POLB P06746 1/20 0.51
PRKDC P78527 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4531903 0.84 MTOR (0.71) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1271532 0.83 MTOR (0.79) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL3045792 0.83 MTOR (0.64) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1271776 0.82 ATR (0.69) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1270712 0.81 MTOR (0.56) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1271937 0.81 MTOR (0.66) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1272343 0.81 PIK3CA (1.00) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1271288 0.80 MTOR (0.67) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1271439 0.80 MTOR (0.81) MTORPIK3CAATRCYP2C9PIK3CD
SCHEMBL1271831 0.79 MTOR (0.63) MTORPIK3CAATRCYP2C9PIK3CD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY TYMP, TYMS, PIK3CA MTOR 4/4885PIK3CA 3/4885ATR 1233/4885

“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.