SCHEMBL740384

SCHEMBL740384

O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 1.00
PIK3CA P42336 6/20 1.00
LMNA P02545 3/20 1.00
HTT P42858 2/20 1.00
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 1.00
FFAR1 O14842 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 2/20 0.58
PPP1CA P62136 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.53
PIK3CB P42338 2/20 0.51
PIK3CG P48736 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
METAP1 P53582 1/20 0.48
ATR Q13535 3/20 0.48
PRKDC P78527 1/20 0.47

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
SCHEMBL1272440 0.92 MTOR (1.00) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1271735 0.90 MTOR (0.81) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1270846 0.90 MTOR (0.81) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1270692 0.88 MTOR (0.78) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1270867 0.87 MTOR (0.77) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1271522 0.86 MTOR (0.78) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1271814 0.86 MTOR (0.75) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1271730 0.86 MTOR (0.77) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1271835 0.84 MTOR (1.00) MTORPIK3CALMNAHTTKDM4E
SCHEMBL1270910 0.84 MTOR (0.75) MTORPIK3CALMNAHTTKDM4E

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 33 patents — showing the first 20. 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 claimed
CN-101370788-A Morpholino pyrimidine derivatives and their use in therapy ASTRAZENECA AB (SE) 2009-02-18 CN claimed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP claimed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO claimed
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 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
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
WO-2008023180-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO 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 (6 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
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, TYMP MTOR 1/4885PIK3CA 2/4885LMNA 3470/4885
US-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 MTOR 1/4885PIK3CA 2/4885LMNA 2667/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR MTOR 3/4885PIK3CA 20/4885LMNA 4614/4885
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD MTOR 2/4885PIK3CA 1/4885LMNA 2410/4885
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885LMNA 2272/4885

“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.