SCHEMBL739736

SCHEMBL739736

O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccncc2)n1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.73
PIK3CA P42336 4/20 0.73
HTT P42858 3/20 0.73
LMNA P02545 2/20 0.73
ALDH1A1 P00352 2/20 0.73
KDM4E B2RXH2 1/20 0.73
POLB P06746 4/20 0.60
MCL1 Q07820 1/20 0.60
CYP3A4 P08684 1/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL1271730 0.93 MTOR (0.77) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL1270707 0.89 MTOR (0.69) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL3603559 0.88 MTOR (0.70) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL1270671 0.87 MTOR (0.66) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL1271886 0.87 MTOR (0.66) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL1272376 0.85 MTOR (0.67) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL1272274 0.85 MTOR (0.64) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL1271359 0.84 MTOR (0.81) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL740384 0.84 MTOR (1.00) MTORPIK3CAHTTLMNAALDH1A1
SCHEMBL3603685 0.84 PIK3CA (0.63) MTORPIK3CAHTTLMNAALDH1A1

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 27 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-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
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-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
WO-2009007751-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-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 (5 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 3/4885HTT 3314/4885
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, TYMP MTOR 1/4885PIK3CA 2/4885HTT 1867/4885
US-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 MTOR 1/4885PIK3CA 2/4885HTT 963/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR MTOR 3/4885PIK3CA 20/4885HTT 4183/4885
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD MTOR 2/4885PIK3CA 1/4885HTT 681/4885

“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.