SCHEMBL1270867

SCHEMBL1270867

O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.77
PIK3CA P42336 7/20 0.77
LMNA P02545 2/20 0.77
HTT P42858 2/20 0.77
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 1/20 0.77
FFAR1 O14842 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.48
PPP1CA P62136 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATR Q13535 3/20 0.43
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL1271735 0.89 MTOR (0.81) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1272440 0.87 MTOR (1.00) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL740384 0.87 MTOR (1.00) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1270692 0.83 MTOR (0.78) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1270846 0.83 MTOR (0.81) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1271814 0.82 MTOR (0.75) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1270910 0.79 MTOR (0.75) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1271522 0.79 MTOR (0.78) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1271830 0.77 MTOR (0.71) MTORPIK3CALMNAHTTALDH1A1
SCHEMBL1271945 0.77 MTOR (0.77) MTORPIK3CALMNAHTTALDH1A1

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 3/4885LMNA 3090/4885

“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.