SCHEMBL3928562

SCHEMBL3928562

O=S(=O)(Cc1cc(N2CCOCC2)nc(Cl)n1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
MTOR P42345 12/20 0.57
PIK3CA P42336 8/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
PIK3CB P42338 1/20 0.45
CYP3A4 P08684 1/20 0.43
MCL1 Q07820 1/20 0.42
ATR Q13535 4/20 0.41
AKT1 P31749 1/20 0.41
CYP2C9 P11712 1/20 0.41
PRKDC P78527 1/20 0.40

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
SCHEMBL3600075 0.89 MTOR (0.67) POLBMTORPIK3CAHTTKDM4E
SCHEMBL3925720 0.87 POLB (0.66) POLBMTORPIK3CAHTTKDM4E
SCHEMBL3595007 0.83 ATR (0.50) POLBMTORPIK3CAHTTKDM4E
SCHEMBL3923605 0.81 MTOR (0.59) POLBMTORPIK3CAHTTKDM4E
SCHEMBL1271807 0.80 MTOR (0.65) POLBMTORPIK3CACYP3A4ATR
SCHEMBL739736 0.80 MTOR (0.73) POLBMTORPIK3CAHTTKDM4E
SCHEMBL2489923 0.79 POLB (0.55) POLBMTORPIK3CAHTTKDM4E
SCHEMBL1270683 0.78 POLB (1.00) POLBMTORPIK3CAHTTKDM4E
SCHEMBL2493247 0.78 POLB (0.51) POLBMTORPIK3CAHTTKDM4E
SCHEMBL2487498 0.77 MTOR (0.62) POLBMTORPIK3CAHTTKDM4E

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
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 POLB 841/4885MTOR 1/4885PIK3CA 2/4885

“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.